2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide

C21H19NO2 — CID 110877152

IUPAC2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H19NO2/c23-15-17-9-6-11-19(14-17)22-21(24)20-12-5-4-10-18(20)13-16-7-2-1-3-8-16/h1-12,14,23H,13,15H2,(H,22,24)
InChIKeyGDQWTZMNGZFSTI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.02
Rot. Bonds5

About 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide

2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 110877152) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID110877152
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H19NO2/c23-15-17-9-6-11-19(14-17)22-21(24)20-12-5-4-10-18(20)13-16-7-2-1-3-8-16/h1-12,14,23H,13,15H2,(H,22,24)
InChIKeyGDQWTZMNGZFSTI-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-benzyl-N-(4-phenoxyphenyl)benzamide
CID 7914966
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
N-[3-(hydroxymethyl)phenyl]-2,3,5-triiodobenzamide
CID 60629840
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2,5-dichloro-N-[3-(hydroxymethyl)phenyl]thiophene-3-carboxamide
CID 103605214
N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 55609495

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide (CID 110877152) is 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide is O=C(Nc1cccc(CO)c1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is GDQWTZMNGZFSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-15-17-9-6-11-19(14-17)22-21(24)20-12-5-4-10-18(20)13-16-7-2-1-3-8-16/h1-12,14,23H,13,15H2,(H,22,24).
What are the key properties of 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide?
2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 110877152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).