N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide

C13H8BrCl2FN2O — CID 16774955

IUPACN-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrCl2FN2O/c14-9-2-1-7(17)5-8(9)13(20)19-12-10(16)3-6(15)4-11(12)18/h1-5H,18H2,(H,19,20)
InChIKeyKSFKTHRCDABJQQ-UHFFFAOYSA-N
MW378.03 g/mol
LogP4.73
Rot. Bonds2

About N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide

N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide (PubChem CID 16774955) has the molecular formula C13H8BrCl2FN2O and a molecular weight of 378.03 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
PubChem CID16774955
Molecular FormulaC13H8BrCl2FN2O
Molecular Weight378.03 g/mol
Exact Mass375.92
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrCl2FN2O/c14-9-2-1-7(17)5-8(9)13(20)19-12-10(16)3-6(15)4-11(12)18/h1-5H,18H2,(H,19,20)
InChIKeyKSFKTHRCDABJQQ-UHFFFAOYSA-N
XLogP4.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.03
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-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

2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide (CID 16774955) is N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide is Nc1cc(Cl)cc(Cl)c1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide?
The InChIKey is KSFKTHRCDABJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FN2O/c14-9-2-1-7(17)5-8(9)13(20)19-12-10(16)3-6(15)4-11(12)18/h1-5H,18H2,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide?
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide has a molecular weight of 378.03 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 16774955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).