3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide

C14H9BrClF2NO — CID 103985523

IUPAC3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9BrClF2NO/c15-11-3-1-2-10(13(11)16)14(20)19-7-8-4-5-9(17)6-12(8)18/h1-6H,7H2,(H,19,20)
InChIKeyBGFDNXDIMPASFG-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide

3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide (PubChem CID 103985523) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
PubChem CID103985523
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9BrClF2NO/c15-11-3-1-2-10(13(11)16)14(20)19-7-8-4-5-9(17)6-12(8)18/h1-6H,7H2,(H,19,20)
InChIKeyBGFDNXDIMPASFG-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-chloro-N-[(2,4-difluorophenyl)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

2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
2,3-dichloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 10270238
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812770
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide (CID 103985523) is 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1F)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
The InChIKey is BGFDNXDIMPASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-11-3-1-2-10(13(11)16)14(20)19-7-8-4-5-9(17)6-12(8)18/h1-6H,7H2,(H,19,20).
What are the key properties of 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide has a molecular weight of 360.59 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 103985523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).