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

C19H19ClN2 — CID 17272599

IUPAC(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
SMILESCCN(CC)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+
InChIKeyNOOQDCRRKCAUKP-GHRIWEEISA-N
MW310.83 g/mol
LogP5.25
Rot. Bonds5

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

(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile (PubChem CID 17272599) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
PubChem CID17272599
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
SMILESCCN(CC)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+
InChIKeyNOOQDCRRKCAUKP-GHRIWEEISA-N
XLogP5.25
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.25
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

(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 91740452
4-[1-cyano-2-[4-(diethylamino)phenyl]ethenyl]benzoic acid
CID 3535833
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 5474273
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile;hydrochloride
CID 54603588
(Z)-2-[4-(diethylamino)phenyl]but-2-enedinitrile
CID 67840148
2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(E)-2-(4-chlorophenyl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile
CID 126249436
[4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenyl] butanoate
CID 39113811
4-chloro-N-[2-[(Z)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34314198
(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2201191

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile (CID 17272599) is (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile is CCN(CC)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
The InChIKey is NOOQDCRRKCAUKP-GHRIWEEISA-N. The full InChI is InChI=1S/C19H19ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-13H,3-4H2,1-2H3/b17-13+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile has a molecular weight of 310.83 g/mol, XLogP of 5.25, 5 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-(diethylamino)phenyl]prop-2-enenitrile is sourced from PubChem (CID 17272599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).