2-bromo-6-chloro-3-fluorobenzamide

C7H4BrClFNO — CID 131617846

IUPAC2-bromo-6-chloro-3-fluorobenzamide
SMILESNC(=O)c1c(Cl)ccc(F)c1Br
InChIInChI=1S/C7H4BrClFNO/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H2,11,12)
InChIKeyGKJQADJJSMGYAW-UHFFFAOYSA-N
MW252.47 g/mol
LogP2.34
Rot. Bonds1

About 2-bromo-6-chloro-3-fluorobenzamide

2-bromo-6-chloro-3-fluorobenzamide (PubChem CID 131617846) has the molecular formula C7H4BrClFNO and a molecular weight of 252.47 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-6-chloro-3-fluorobenzamide
PubChem CID131617846
Molecular FormulaC7H4BrClFNO
Molecular Weight252.47 g/mol
Exact Mass250.91
IUPAC Name2-bromo-6-chloro-3-fluorobenzamide
SMILESNC(=O)c1c(Cl)ccc(F)c1Br
InChIInChI=1S/C7H4BrClFNO/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H2,11,12)
InChIKeyGKJQADJJSMGYAW-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 52.34
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

2-bromo-4-chloro-3-fluorobenzamide
CID 89499969
4-chloro-2,6-difluorobenzamide
CID 22478130
6-chloro-2,3-difluorobenzoyl chloride
CID 50998364
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-bromo-3-fluoro-6-methylbenzoyl chloride
CID 171033248
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
(E)-3-(2-bromo-6-chloro-3-fluorophenyl)prop-2-enoic acid
CID 131586359
2-bromo-3-chloro-6-fluoroaniline
CID 106701544

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-fluorobenzamide?
The IUPAC name of 2-bromo-6-chloro-3-fluorobenzamide (CID 131617846) is 2-bromo-6-chloro-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-6-chloro-3-fluorobenzamide?
The canonical SMILES for 2-bromo-6-chloro-3-fluorobenzamide is NC(=O)c1c(Cl)ccc(F)c1Br.
What is the InChIKey of 2-bromo-6-chloro-3-fluorobenzamide?
The InChIKey is GKJQADJJSMGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,(H2,11,12).
What are the key properties of 2-bromo-6-chloro-3-fluorobenzamide?
2-bromo-6-chloro-3-fluorobenzamide has a molecular weight of 252.47 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3-fluorobenzamide is sourced from PubChem (CID 131617846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).