N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide

C16H16N2O — CID 174871925

IUPACN-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
SMILESNCc1ccccc1C=CNC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-12-15-9-5-4-6-13(15)10-11-18-16(19)14-7-2-1-3-8-14/h1-11H,12,17H2,(H,18,19)
InChIKeyPWCZEFFUAMIGLU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.55
Rot. Bonds4

About N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide

N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide (PubChem CID 174871925) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
PubChem CID174871925
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
SMILESNCc1ccccc1C=CNC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-12-15-9-5-4-6-13(15)10-11-18-16(19)14-7-2-1-3-8-14/h1-11H,12,17H2,(H,18,19)
InChIKeyPWCZEFFUAMIGLU-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
4-[3-[2-(aminomethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 175323224
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
benzyl N-[4-[2-(aminomethyl)phenyl]but-3-enyl]carbamate
CID 170493744
4-[3-[2-(aminomethyl)phenyl]prop-2-enoylamino]benzamide
CID 174925024
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
N-[(Z)-2-naphthalen-2-ylethenyl]benzamide
CID 177309001
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
CID 64882514

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide (CID 174871925) is N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide is NCc1ccccc1C=CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide?
The InChIKey is PWCZEFFUAMIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-12-15-9-5-4-6-13(15)10-11-18-16(19)14-7-2-1-3-8-14/h1-11H,12,17H2,(H,18,19).
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide?
N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide has a molecular weight of 252.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 174871925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).