N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide

C13H6BrClF3NO — CID 81024059

IUPACN-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6BrClF3NO/c14-8-5-6(15)1-4-10(8)19-13(20)7-2-3-9(16)12(18)11(7)17/h1-5H,(H,19,20)
InChIKeySNWFSUWODIISJM-UHFFFAOYSA-N
MW364.55 g/mol
LogP4.77
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide

N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide (PubChem CID 81024059) has the molecular formula C13H6BrClF3NO and a molecular weight of 364.55 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
PubChem CID81024059
Molecular FormulaC13H6BrClF3NO
Molecular Weight364.55 g/mol
Exact Mass362.93
IUPAC NameN-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6BrClF3NO/c14-8-5-6(15)1-4-10(8)19-13(20)7-2-3-9(16)12(18)11(7)17/h1-5H,(H,19,20)
InChIKeySNWFSUWODIISJM-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
2-amino-N-(2-bromo-4-chlorophenyl)-3-fluorobenzamide
CID 81275442
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide (CID 81024059) is N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide is O=C(Nc1ccc(Cl)cc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide?
The InChIKey is SNWFSUWODIISJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF3NO/c14-8-5-6(15)1-4-10(8)19-13(20)7-2-3-9(16)12(18)11(7)17/h1-5H,(H,19,20).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide?
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide has a molecular weight of 364.55 g/mol, XLogP of 4.77, 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)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 81024059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).