N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide

C13H6BrCl2F2NO — CID 3993061

IUPACN-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6BrCl2F2NO/c14-6-1-2-12(9(16)3-6)19-13(20)7-4-10(17)11(18)5-8(7)15/h1-5H,(H,19,20)
InChIKeyPHDVZKISTVEWTI-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.29
Rot. Bonds2

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

N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide (PubChem CID 3993061) has the molecular formula C13H6BrCl2F2NO and a molecular weight of 381.00 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
PubChem CID3993061
Molecular FormulaC13H6BrCl2F2NO
Molecular Weight381.00 g/mol
Exact Mass378.90
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6BrCl2F2NO/c14-6-1-2-12(9(16)3-6)19-13(20)7-4-10(17)11(18)5-8(7)15/h1-5H,(H,19,20)
InChIKeyPHDVZKISTVEWTI-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
CID 107120481
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide (CID 3993061) is N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide is O=C(Nc1ccc(Br)cc1Cl)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide?
The InChIKey is PHDVZKISTVEWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2F2NO/c14-6-1-2-12(9(16)3-6)19-13(20)7-4-10(17)11(18)5-8(7)15/h1-5H,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide?
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide has a molecular weight of 381.00 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 3993061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).