N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide

C13H7BrCl2FNO — CID 81027870

IUPACN-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-10-5-7(15)2-4-12(10)18-13(19)9-3-1-8(16)6-11(9)17/h1-6H,(H,18,19)
InChIKeySDDFQQHGHYLVBN-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide

N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide (PubChem CID 81027870) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
PubChem CID81027870
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-10-5-7(15)2-4-12(10)18-13(19)9-3-1-8(16)6-11(9)17/h1-6H,(H,18,19)
InChIKeySDDFQQHGHYLVBN-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide (CID 81027870) is N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide is O=C(Nc1ccc(Cl)cc1Br)c1ccc(Cl)cc1F.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide?
The InChIKey is SDDFQQHGHYLVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-10-5-7(15)2-4-12(10)18-13(19)9-3-1-8(16)6-11(9)17/h1-6H,(H,18,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide?
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 81027870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).