N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide

C21H19NO2 — CID 99639437

IUPACN-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-15-11-13-17(14-12-15)21(24)22-19-10-6-5-9-18(19)20(23)16-7-3-2-4-8-16/h2-14,20,23H,1H3,(H,22,24)/t20-/m0/s1
InChIKeyCNRAMIPMZQJYBB-FQEVSTJZSA-N
MW317.39 g/mol
LogP4.33
Rot. Bonds4

About N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide

N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide (PubChem CID 99639437) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
PubChem CID99639437
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c1-15-11-13-17(14-12-15)21(24)22-19-10-6-5-9-18(19)20(23)16-7-3-2-4-8-16/h2-14,20,23H,1H3,(H,22,24)/t20-/m0/s1
InChIKeyCNRAMIPMZQJYBB-FQEVSTJZSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide
CID 13101314
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-(2-propan-2-ylphenyl)benzamide
CID 723391
methyl 4-[hydroxy-[2-[(2-methoxybenzoyl)amino]phenyl]methyl]benzoate
CID 71596281
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3,4-dimethylbenzamide
CID 50882522
N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
3-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide
CID 50882569
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-[2-(1-hydroxyethyl)phenyl]-4-phenoxybenzamide
CID 110885288
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide (CID 99639437) is N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
The InChIKey is CNRAMIPMZQJYBB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15-11-13-17(14-12-15)21(24)22-19-10-6-5-9-18(19)20(23)16-7-3-2-4-8-16/h2-14,20,23H,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide?
N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 99639437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).