3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide

C14H7BrCl2N2O — CID 107938866

IUPAC3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20)
InChIKeyDHKBHOOKGFSNBD-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.88
Rot. Bonds2

About 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide

3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide (PubChem CID 107938866) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
PubChem CID107938866
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrCl2N2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20)
InChIKeyDHKBHOOKGFSNBD-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

3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide (CID 107938866) is 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide is N#Cc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide?
The InChIKey is DHKBHOOKGFSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide?
3-bromo-5-chloro-N-(5-chloro-2-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 3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide is sourced from PubChem (CID 107938866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).