(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile

C17H15ClN2 — CID 820254

IUPAC(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
InChIKeyJYSGNKFGNNTQNO-RVDMUPIBSA-N
MW282.77 g/mol
LogP4.47
Rot. Bonds3

About (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (PubChem CID 820254) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
PubChem CID820254
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
InChIKeyJYSGNKFGNNTQNO-RVDMUPIBSA-N
XLogP4.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile
CID 5377203
3-(4-(Dimethylamino)phenyl)-2-(4-fluorophenyl)acrylonitrile
CID 853950
(2Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953
2-(3-Chlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile
CID 5858764
Propanedinitrile, 2-[[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-
CID 17545865
2-(5-Chloro-2-methylanilino)-2-phenylacetonitrile
CID 2732646
3-(4-(Dimethylamino)phenyl)-2-(4-methylphenyl)acrylonitrile
CID 5377626
2-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile
CID 926414
2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-
CID 5351425
(S)-2-chloro-4-((2-chlorobenzyl)(1-methylpyrrolidin-3-yl)amino)benzonitrile
CID 44517745
(S)-4-(benzyl(1-methylpyrrolidin-3-yl)amino)-2-chlorobenzonitrile
CID 45271140
(S)-2-chloro-4-((4-chlorobenzyl)(1-methylpyrrolidin-3-yl)amino)benzonitrile
CID 45271144

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile (CID 820254) is (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is CN(C)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
The InChIKey is JYSGNKFGNNTQNO-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile has a molecular weight of 282.77 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile is sourced from PubChem (CID 820254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).