4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide

C15H15BrN2O2 — CID 104782310

IUPAC4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-11(4-7-13(14)17)15(19)18-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyRVHADUJLWQTCCA-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide

4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide (PubChem CID 104782310) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
PubChem CID104782310
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-11(4-7-13(14)17)15(19)18-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyRVHADUJLWQTCCA-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[(4-bromophenyl)methyl]-3-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

3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
CID 112832760
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide (CID 104782310) is 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCc2ccc(Br)cc2)ccc1N.
What is the InChIKey of 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide?
The InChIKey is RVHADUJLWQTCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-8-11(4-7-13(14)17)15(19)18-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide?
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 104782310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).