(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile

C15H10Cl2N2 — CID 1473185

IUPAC(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\Nc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H/b12-10+
InChIKeyPCXPCVIOGVMYBD-ZRDIBKRKSA-N
MW289.17 g/mol
LogP4.97
Rot. Bonds3

About (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile

(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile (PubChem CID 1473185) has the molecular formula C15H10Cl2N2 and a molecular weight of 289.17 g/mol. Its IUPAC name is (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
PubChem CID1473185
Molecular FormulaC15H10Cl2N2
Molecular Weight289.17 g/mol
Exact Mass288.02
IUPAC Name(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\Nc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H/b12-10+
InChIKeyPCXPCVIOGVMYBD-ZRDIBKRKSA-N
XLogP4.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.97
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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Related Compounds

(Z)-2-(4-chlorophenyl)-3-(3-methylanilino)prop-2-enenitrile
CID 1473184
3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
CID 3263591
4-chloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168542960
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 46920705
N-(3-chlorophenyl)-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]benzamide
CID 169346329
2,4-dichloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168543040
3-(3-chloroanilino)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 4670691
(Z)-N-(3-chlorophenyl)-3-[(4-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108860367
(Z)-3-(3-chloro-4-fluoroanilino)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860528
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
3-anilino-2-(3-chlorobenzoyl)prop-2-enenitrile
CID 67024226

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile (CID 1473185) is (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile is N#C/C(=C\Nc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is PCXPCVIOGVMYBD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H/b12-10+.
What are the key properties of (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile?
(Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 289.17 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 1473185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).