3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide

C14H9BrClFN2O2 — CID 106544218

IUPAC3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(Br)c2F)ccc1Cl
InChIInChI=1S/C14H9BrClFN2O2/c15-10-3-1-2-8(12(10)17)14(21)19-7-4-5-11(16)9(6-7)13(18)20/h1-6H,(H2,18,20)(H,19,21)
InChIKeyYQWLEBLJTWXCRF-UHFFFAOYSA-N
MW371.59 g/mol
LogP3.59
Rot. Bonds3

About 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide

3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide (PubChem CID 106544218) has the molecular formula C14H9BrClFN2O2 and a molecular weight of 371.59 g/mol. Its IUPAC name is 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
PubChem CID106544218
Molecular FormulaC14H9BrClFN2O2
Molecular Weight371.59 g/mol
Exact Mass369.95
IUPAC Name3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2cccc(Br)c2F)ccc1Cl
InChIInChI=1S/C14H9BrClFN2O2/c15-10-3-1-2-8(12(10)17)14(21)19-7-4-5-11(16)9(6-7)13(18)20/h1-6H,(H2,18,20)(H,19,21)
InChIKeyYQWLEBLJTWXCRF-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide 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-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
3-bromo-2-fluoro-N-(4-formylphenyl)benzamide
CID 114019860
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide (CID 106544218) is 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide is NC(=O)c1cc(NC(=O)c2cccc(Br)c2F)ccc1Cl.
What is the InChIKey of 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
The InChIKey is YQWLEBLJTWXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2O2/c15-10-3-1-2-8(12(10)17)14(21)19-7-4-5-11(16)9(6-7)13(18)20/h1-6H,(H2,18,20)(H,19,21).
What are the key properties of 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide?
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide has a molecular weight of 371.59 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 106544218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).