4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide

C14H7BrCl2N2O — CID 81308168

IUPAC4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
SMILESN#Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-11-3-1-8(6-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20)
InChIKeyFXDOKMYXALTVCK-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.88
Rot. Bonds2

About 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide

4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide (PubChem CID 81308168) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
PubChem CID81308168
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
SMILESN#Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-11-3-1-8(6-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20)
InChIKeyFXDOKMYXALTVCK-UHFFFAOYSA-N
XLogP4.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309
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CID 103763591
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
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N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
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4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
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4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
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3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
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N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide (CID 81308168) is 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide is N#Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide?
The InChIKey is FXDOKMYXALTVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-11-3-1-8(6-13(11)17)14(20)19-10-2-4-12(16)9(5-10)7-18/h1-6H,(H,19,20).
What are the key properties of 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide?
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide has a molecular weight of 370.03 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide is sourced from PubChem (CID 81308168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).