N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide

C13H7BrCl2FNO — CID 100533267

IUPACN-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-10-4-2-8(6-11(10)16)18-13(19)9-3-1-7(15)5-12(9)17/h1-6H,(H,18,19)
InChIKeyXWFYGJJMLODJDK-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide

N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide (PubChem CID 100533267) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
PubChem CID100533267
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H7BrCl2FNO/c14-10-4-2-8(6-11(10)16)18-13(19)9-3-1-7(15)5-12(9)17/h1-6H,(H,18,19)
InChIKeyXWFYGJJMLODJDK-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

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CID 107619744
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2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
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N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
CID 107021994
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
CID 114259361

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide (CID 100533267) is N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide?
The InChIKey is XWFYGJJMLODJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-10-4-2-8(6-11(10)16)18-13(19)9-3-1-7(15)5-12(9)17/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide?
N-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 100533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).