3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide

C15H15N3O2 — CID 102978279

IUPAC3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
SMILESNCc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2/c16-9-10-3-1-5-12(7-10)15(20)18-13-6-2-4-11(8-13)14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20)
InChIKeyYEMWASAHXSANAZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.50
Rot. Bonds4

About 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide

3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide (PubChem CID 102978279) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
PubChem CID102978279
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
SMILESNCc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H15N3O2/c16-9-10-3-1-5-12(7-10)15(20)18-13-6-2-4-11(8-13)14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20)
InChIKeyYEMWASAHXSANAZ-UHFFFAOYSA-N
XLogP1.50
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide (CID 102978279) is 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide is NCc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide?
The InChIKey is YEMWASAHXSANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-10-3-1-5-12(7-10)15(20)18-13-6-2-4-11(8-13)14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20).
What are the key properties of 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide?
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide is sourced from PubChem (CID 102978279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).