2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide

C14H7BrClFN2O — CID 103739886

IUPAC2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H7BrClFN2O/c15-12-3-1-9(16)6-11(12)14(20)19-13-4-2-10(17)5-8(13)7-18/h1-6H,(H,19,20)
InChIKeyDOXLRWVWLOLCTH-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.37
Rot. Bonds2

About 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide

2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide (PubChem CID 103739886) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
PubChem CID103739886
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
SMILESN#Cc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H7BrClFN2O/c15-12-3-1-9(16)6-11(12)14(20)19-13-4-2-10(17)5-8(13)7-18/h1-6H,(H,19,20)
InChIKeyDOXLRWVWLOLCTH-UHFFFAOYSA-N
XLogP4.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-chloro-N-(2-cyano-4-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

4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-(4-bromo-2-cyanophenyl)-4-fluoro-2-hydroxybenzamide
CID 107014840
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide (CID 103739886) is 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide is N#Cc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
The InChIKey is DOXLRWVWLOLCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-12-3-1-9(16)6-11(12)14(20)19-13-4-2-10(17)5-8(13)7-18/h1-6H,(H,19,20).
What are the key properties of 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide?
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide has a molecular weight of 353.58 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide is sourced from PubChem (CID 103739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).