| CAS Number | 100990-57-6 |
| Catalog Number | AG0003E4(AGN-PC-0JWJDR) |
| Chemical Name | Benzamide, N-[4-(1-methylethyl)phenyl]- |
| IUPAC Name | N-(4-propan-2-ylphenyl)benzamide |
| InChI | InChI=1S/C16H17NO/c1-12(2)13-8-10-15(11-9-13)17-16(18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18) |
| InChI Key | HWVROWYWWUNAGI-UHFFFAOYSA-N |
| MDL Number | MFCD00751523 |
| Molecular Formula | C16H17NO |
| Molecular Weight | 239.3123 |
| SMILES | CC(C1=CC=C(NC(C2=CC=CC=C2)=O)C=C1)C |
| Synonyms | 100990-57-6,
Benzamide, N-[4-(1-methylethyl)phenyl]-,
N-[4-(propan-2-yl)phenyl]benzamide,
N-(4-propan-2-ylphenyl)benzamide,
AC1LGE8D,
ACMC-20m412,
N-(4-isopropylphenyl)benzamide,
SCHEMBL2563194,
CHEMBL3752686,
CTK0G8520,
DTXSID70356122,
ZINC335796,
N-[4-(methylethyl)phenyl]benzamide,
STK167633,
AKOS001091892,
MCULE-1613721073,
ST50913552,
AO-548/09691046,
CID819839,
ZINC00335796,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.318g/mol |
| Monoisotopic Mass | 239.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number