4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide

C13H8BrClF2N2O — CID 43168230

IUPAC4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
SMILESNc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-9-3-6(16)4-11(17)12(9)19-13(20)8-2-1-7(18)5-10(8)15/h1-5H,18H2,(H,19,20)
InChIKeyWSVPCEOXGKYHMQ-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

About 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide

4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide (PubChem CID 43168230) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
PubChem CID43168230
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
SMILESNc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C13H8BrClF2N2O/c14-9-3-6(16)4-11(17)12(9)19-13(20)8-2-1-7(18)5-10(8)15/h1-5H,18H2,(H,19,20)
InChIKeyWSVPCEOXGKYHMQ-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'}

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Related Compounds

5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N-(2-bromo-4,6-difluorophenyl)-5-[(3,4-dichlorophenyl)methylsulfamoyl]-2-fluorobenzamide
CID 4170548

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide?
The IUPAC name of 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide (CID 43168230) is 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide?
The canonical SMILES for 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide is Nc1ccc(C(=O)Nc2c(F)cc(F)cc2Br)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide?
The InChIKey is WSVPCEOXGKYHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-9-3-6(16)4-11(17)12(9)19-13(20)8-2-1-7(18)5-10(8)15/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide?
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide 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 4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 43168230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).