3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

C13H6BrCl3FNO — CID 107953792

IUPAC3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H6BrCl3FNO/c14-7-1-6(2-8(15)3-7)13(20)19-9-4-10(16)12(18)11(17)5-9/h1-5H,(H,19,20)
InChIKeyCQKYQMAOIRAJFC-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.80
Rot. Bonds2

About 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (PubChem CID 107953792) has the molecular formula C13H6BrCl3FNO and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
PubChem CID107953792
Molecular FormulaC13H6BrCl3FNO
Molecular Weight397.46 g/mol
Exact Mass394.87
IUPAC Name3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H6BrCl3FNO/c14-7-1-6(2-8(15)3-7)13(20)19-9-4-10(16)12(18)11(17)5-9/h1-5H,(H,19,20)
InChIKeyCQKYQMAOIRAJFC-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.80
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

3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (CID 107953792) is 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide is O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The InChIKey is CQKYQMAOIRAJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl3FNO/c14-7-1-6(2-8(15)3-7)13(20)19-9-4-10(16)12(18)11(17)5-9/h1-5H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 107953792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).