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

C16H11ClN2O2 — CID 108808709

IUPACN-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C16H11ClN2O2/c1-10(20)12-5-6-14(17)15(8-12)19-16(21)13-4-2-3-11(7-13)9-18/h2-8H,1H3,(H,19,21)
InChIKeyHLLVGOUUIZGTEJ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.67
Rot. Bonds3

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

N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide (PubChem CID 108808709) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
PubChem CID108808709
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC NameN-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C16H11ClN2O2/c1-10(20)12-5-6-14(17)15(8-12)19-16(21)13-4-2-3-11(7-13)9-18/h2-8H,1H3,(H,19,21)
InChIKeyHLLVGOUUIZGTEJ-UHFFFAOYSA-N
XLogP3.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-acetyl-2-chloroanilino)benzonitrile
CID 82535323
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
potassium 3-[(2-chloro-5-cyanophenyl)carbamoyl]benzenesulfonate
CID 20688348
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide (CID 108808709) is N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide is CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide?
The InChIKey is HLLVGOUUIZGTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c1-10(20)12-5-6-14(17)15(8-12)19-16(21)13-4-2-3-11(7-13)9-18/h2-8H,1H3,(H,19,21).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide?
N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide has a molecular weight of 298.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide is sourced from PubChem (CID 108808709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).