2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide

C13H8BrClF2N2O — CID 103477239

IUPAC2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H8BrClF2N2O/c14-12-7(15)2-1-3-11(12)19-13(20)6-4-8(16)9(17)5-10(6)18/h1-5H,18H2,(H,19,20)
InChIKeyUESDZFCVNKNJIH-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

About 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide

2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide (PubChem CID 103477239) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
PubChem CID103477239
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H8BrClF2N2O/c14-12-7(15)2-1-3-11(12)19-13(20)6-4-8(16)9(17)5-10(6)18/h1-5H,18H2,(H,19,20)
InChIKeyUESDZFCVNKNJIH-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide 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-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
3-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477081
N-(2-bromo-3-chlorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide (CID 103477239) is 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide is Nc1cc(F)c(F)cc1C(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide?
The InChIKey is UESDZFCVNKNJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-12-7(15)2-1-3-11(12)19-13(20)6-4-8(16)9(17)5-10(6)18/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide?
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide has a molecular weight of 361.57 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 103477239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).