N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide

C15H15BrN2O2 — CID 81469393

IUPACN-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAGPPTJVPVVDOIE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.17
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide

N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide (PubChem CID 81469393) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide
PubChem CID81469393
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyAGPPTJVPVVDOIE-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 78988027
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
4-bromo-N-(3-carbamothioylphenyl)-2-methoxybenzamide
CID 115369085
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide (CID 81469393) is N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide?
The InChIKey is AGPPTJVPVVDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-8-11(16)5-6-13(14)15(19)18-12-4-2-3-10(7-12)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide?
N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 81469393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).