3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide

C15H14BrClN2O — CID 105401162

IUPAC3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-2-3-10(6-12(9)16)8-19-14-7-11(15(18)20)4-5-13(14)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyVJGCSICRTIJEEM-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.12
Rot. Bonds4

About 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide

3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide (PubChem CID 105401162) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
PubChem CID105401162
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-2-3-10(6-12(9)16)8-19-14-7-11(15(18)20)4-5-13(14)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyVJGCSICRTIJEEM-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide 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-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
methyl 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzoate
CID 105401244
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
methyl 3-[(3-bromo-4-fluorophenyl)methylamino]-4-chlorobenzoate
CID 43714769
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-(pentylamino)benzamide
CID 43679378

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide?
The IUPAC name of 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide (CID 105401162) is 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide.
What is the SMILES notation for 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide?
The canonical SMILES for 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide is Cc1ccc(CNc2cc(C(N)=O)ccc2Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide?
The InChIKey is VJGCSICRTIJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-2-3-10(6-12(9)16)8-19-14-7-11(15(18)20)4-5-13(14)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide?
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide is sourced from PubChem (CID 105401162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).