N-(4-acetylphenyl)-2-(aminomethyl)benzamide

C16H16N2O2 — CID 82546626

IUPACN-(4-acetylphenyl)-2-(aminomethyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccccc2CN)cc1
InChIInChI=1S/C16H16N2O2/c1-11(19)12-6-8-14(9-7-12)18-16(20)15-5-3-2-4-13(15)10-17/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyUMGJNWKJZVOCGE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds4

About N-(4-acetylphenyl)-2-(aminomethyl)benzamide

N-(4-acetylphenyl)-2-(aminomethyl)benzamide (PubChem CID 82546626) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(aminomethyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(aminomethyl)benzamide
PubChem CID82546626
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(4-acetylphenyl)-2-(aminomethyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccccc2CN)cc1
InChIInChI=1S/C16H16N2O2/c1-11(19)12-6-8-14(9-7-12)18-16(20)15-5-3-2-4-13(15)10-17/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyUMGJNWKJZVOCGE-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
5-[[2-(aminomethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 110451899
2-(aminomethyl)-N-(3,5-dichlorophenyl)benzamide
CID 82546015
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 110451835
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
CID 82546852
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(aminomethyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-2-(aminomethyl)benzamide (CID 82546626) is N-(4-acetylphenyl)-2-(aminomethyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(aminomethyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(aminomethyl)benzamide is CC(=O)c1ccc(NC(=O)c2ccccc2CN)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(aminomethyl)benzamide?
The InChIKey is UMGJNWKJZVOCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(19)12-6-8-14(9-7-12)18-16(20)15-5-3-2-4-13(15)10-17/h2-9H,10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-2-(aminomethyl)benzamide?
N-(4-acetylphenyl)-2-(aminomethyl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(aminomethyl)benzamide is sourced from PubChem (CID 82546626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).