N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

C21H19NO — CID 8798062

IUPACN-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)22-21(23)19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23)/t20-/m0/s1
InChIKeyIUPSZRQLPKJUKR-FQEVSTJZSA-N
MW301.39 g/mol
LogP4.51
Rot. Bonds4

About N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 8798062) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID8798062
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)22-21(23)19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23)/t20-/m0/s1
InChIKeyIUPSZRQLPKJUKR-FQEVSTJZSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
CID 8798028
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 28635742
N-[(4-methylphenyl)-phenylmethyl]-3-nitrobenzamide
CID 43886300
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (CID 8798062) is N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is IUPSZRQLPKJUKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)22-21(23)19-10-6-3-7-11-19/h2-15,20H,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 8798062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).