4-(aminomethyl)-N-(4-ethenylphenyl)benzamide

C16H16N2O — CID 166434633

IUPAC4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
SMILESC=Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-12-5-9-15(10-6-12)18-16(19)14-7-3-13(11-17)4-8-14/h2-10H,1,11,17H2,(H,18,19)
InChIKeyXCGOCNUWKBITLU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.04
Rot. Bonds4

About 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide

4-(aminomethyl)-N-(4-ethenylphenyl)benzamide (PubChem CID 166434633) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
PubChem CID166434633
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
SMILESC=Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-12-5-9-15(10-6-12)18-16(19)14-7-3-13(11-17)4-8-14/h2-10H,1,11,17H2,(H,18,19)
InChIKeyXCGOCNUWKBITLU-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide (CID 166434633) is 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide is C=Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide?
The InChIKey is XCGOCNUWKBITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-12-5-9-15(10-6-12)18-16(19)14-7-3-13(11-17)4-8-14/h2-10H,1,11,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide?
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide has a molecular weight of 252.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethenylphenyl)benzamide is sourced from PubChem (CID 166434633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).