N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide

C11H9ClN2O — CID 121221706

IUPACN-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
SMILESCC(=O)N/C(=C/C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-8(15)14-11(6-7-13)9-2-4-10(12)5-3-9/h2-6H,1H3,(H,14,15)/b11-6+
InChIKeyKFUVLGQMTRXVGC-IZZDOVSWSA-N
MW220.66 g/mol
LogP2.34
Rot. Bonds2

About N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide

N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide (PubChem CID 121221706) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
PubChem CID121221706
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC NameN-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
SMILESCC(=O)N/C(=C/C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-8(15)14-11(6-7-13)9-2-4-10(12)5-3-9/h2-6H,1H3,(H,14,15)/b11-6+
InChIKeyKFUVLGQMTRXVGC-IZZDOVSWSA-N
XLogP2.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
N-acetyl-4-chlorobenzamide
CID 11735747
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
CID 101478074
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
4-chloro-N-(1-cyano-2-methylprop-1-enyl)benzamide
CID 110192763
methyl (E)-3-(4-chlorophenyl)-2-cyanobut-2-enoate
CID 13294495
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-chloro(13C)benzoic acid
CID 66995527
(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide
CID 102276227
4-chlorobenzoic acid;fluoromethane
CID 174932068
(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile
CID 67809240
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide (CID 121221706) is N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide is CC(=O)N/C(=C/C#N)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide?
The InChIKey is KFUVLGQMTRXVGC-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8(15)14-11(6-7-13)9-2-4-10(12)5-3-9/h2-6H,1H3,(H,14,15)/b11-6+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide?
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide has a molecular weight of 220.66 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide is sourced from PubChem (CID 121221706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).