2-bromo-N-(4-chloro-3-fluorophenyl)benzamide

C13H8BrClFNO — CID 47227901

IUPAC2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C13H8BrClFNO/c14-10-4-2-1-3-9(10)13(18)17-8-5-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyKPKFJQMSFVQSKO-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.49
Rot. Bonds2

About 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide

2-bromo-N-(4-chloro-3-fluorophenyl)benzamide (PubChem CID 47227901) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
PubChem CID47227901
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccccc1Br
InChIInChI=1S/C13H8BrClFNO/c14-10-4-2-1-3-9(10)13(18)17-8-5-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyKPKFJQMSFVQSKO-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
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N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
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N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
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2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
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3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide (CID 47227901) is 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide is O=C(Nc1ccc(Cl)c(F)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
The InChIKey is KPKFJQMSFVQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-10-4-2-1-3-9(10)13(18)17-8-5-6-11(15)12(16)7-8/h1-7H,(H,17,18).
What are the key properties of 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide?
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide has a molecular weight of 328.57 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-3-fluorophenyl)benzamide is sourced from PubChem (CID 47227901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).