N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide

C16H11ClN2O — CID 7285118

IUPACN-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide
SMILESN#C/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-8-6-12(7-9-14)10-15(11-18)19-16(20)13-4-2-1-3-5-13/h1-10H,(H,19,20)/b15-10-
InChIKeyAHSNLKHGVOXYOY-GDNBJRDFSA-N
MW282.73 g/mol
LogP3.63
Rot. Bonds3

About N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide

N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide (PubChem CID 7285118) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide
PubChem CID7285118
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC NameN-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide
SMILESN#C/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-8-6-12(7-9-14)10-15(11-18)19-16(20)13-4-2-1-3-5-13/h1-10H,(H,19,20)/b15-10-
InChIKeyAHSNLKHGVOXYOY-GDNBJRDFSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide?
The IUPAC name of N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide (CID 7285118) is N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide.
What is the SMILES notation for N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide?
The canonical SMILES for N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide is N#C/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide?
The InChIKey is AHSNLKHGVOXYOY-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-8-6-12(7-9-14)10-15(11-18)19-16(20)13-4-2-1-3-5-13/h1-10H,(H,19,20)/b15-10-.
What are the key properties of N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide?
N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide has a molecular weight of 282.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzamide is sourced from PubChem (CID 7285118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).