N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide

C14H8BrClN2O — CID 81271572

IUPACN-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H8BrClN2O/c15-12-5-4-11(16)7-13(12)18-14(19)10-3-1-2-9(6-10)8-17/h1-7H,(H,18,19)
InChIKeyZYBJQLVVTNVHLC-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.23
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide

N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide (PubChem CID 81271572) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
PubChem CID81271572
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H8BrClN2O/c15-12-5-4-11(16)7-13(12)18-14(19)10-3-1-2-9(6-10)8-17/h1-7H,(H,18,19)
InChIKeyZYBJQLVVTNVHLC-UHFFFAOYSA-N
XLogP4.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide (CID 81271572) is N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cc(Cl)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide?
The InChIKey is ZYBJQLVVTNVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-12-5-4-11(16)7-13(12)18-14(19)10-3-1-2-9(6-10)8-17/h1-7H,(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide?
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide has a molecular weight of 335.59 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide is sourced from PubChem (CID 81271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).