N-[(5-bromo-2-methoxyphenyl)methyl]benzamide

C15H14BrNO2 — CID 49172987

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-19-14-8-7-13(16)9-12(14)10-17-15(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDCTFAOCADQFOBK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]benzamide

N-[(5-bromo-2-methoxyphenyl)methyl]benzamide (PubChem CID 49172987) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]benzamide
PubChem CID49172987
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-19-14-8-7-13(16)9-12(14)10-17-15(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDCTFAOCADQFOBK-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]benzamide 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

N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24544434
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(2,4-dibromophenyl)methyl]benzamide
CID 175587612
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341642
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20888209
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
CID 115172151
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]benzamide (CID 49172987) is N-[(5-bromo-2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]benzamide is COc1ccc(Br)cc1CNC(=O)c1ccccc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]benzamide?
The InChIKey is DCTFAOCADQFOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-14-8-7-13(16)9-12(14)10-17-15(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]benzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 49172987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).