5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide

C14H10BrCl2FN2O — CID 107185996

IUPAC5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H10BrCl2FN2O/c1-6-2-9(15)11(18)5-12(6)20-14(21)8-3-7(19)4-10(16)13(8)17/h2-5H,19H2,1H3,(H,20,21)
InChIKeyUXVUMUAJWBNQHB-UHFFFAOYSA-N
MW392.06 g/mol
LogP5.04
Rot. Bonds2

About 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide

5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide (PubChem CID 107185996) has the molecular formula C14H10BrCl2FN2O and a molecular weight of 392.06 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
PubChem CID107185996
Molecular FormulaC14H10BrCl2FN2O
Molecular Weight392.06 g/mol
Exact Mass389.93
IUPAC Name5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H10BrCl2FN2O/c1-6-2-9(15)11(18)5-12(6)20-14(21)8-3-7(19)4-10(16)13(8)17/h2-5H,19H2,1H3,(H,20,21)
InChIKeyUXVUMUAJWBNQHB-UHFFFAOYSA-N
XLogP5.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.06
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide 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

5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 107186123
5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354
5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
CID 107185397
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide (CID 107185996) is 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide is Cc1cc(Br)c(F)cc1NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide?
The InChIKey is UXVUMUAJWBNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FN2O/c1-6-2-9(15)11(18)5-12(6)20-14(21)8-3-7(19)4-10(16)13(8)17/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide?
5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide has a molecular weight of 392.06 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107185996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).