3-bromo-4-chloro-N-(3-fluorophenyl)benzamide

C13H8BrClFNO — CID 107999213

IUPAC3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H8BrClFNO/c14-11-6-8(4-5-12(11)15)13(18)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,18)
InChIKeyZFVSRECGAPYKTA-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide

3-bromo-4-chloro-N-(3-fluorophenyl)benzamide (PubChem CID 107999213) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
PubChem CID107999213
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H8BrClFNO/c14-11-6-8(4-5-12(11)15)13(18)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,18)
InChIKeyZFVSRECGAPYKTA-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-chloro-N-(3-fluorophenyl)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

3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
2-[(3-bromo-4-chlorobenzoyl)amino]-6-fluorobenzoic acid
CID 107997743
4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
CID 145366635
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide (CID 107999213) is 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide?
The InChIKey is ZFVSRECGAPYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-11-6-8(4-5-12(11)15)13(18)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,18).
What are the key properties of 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide?
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide has a molecular weight of 328.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 107999213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).