3-anilino-2-(4-chlorophenyl)prop-2-enenitrile

C15H11ClN2 — CID 3263591

IUPAC3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=CNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2/c16-14-8-6-12(7-9-14)13(10-17)11-18-15-4-2-1-3-5-15/h1-9,11,18H
InChIKeyVBLSFDCBVGTJOW-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.32
Rot. Bonds3

About 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile

3-anilino-2-(4-chlorophenyl)prop-2-enenitrile (PubChem CID 3263591) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
PubChem CID3263591
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
SMILESN#CC(=CNc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2/c16-14-8-6-12(7-9-14)13(10-17)11-18-15-4-2-1-3-5-15/h1-9,11,18H
InChIKeyVBLSFDCBVGTJOW-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.32
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)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
CID 1473185
(Z)-2-(4-chlorophenyl)-3-(3-methylanilino)prop-2-enenitrile
CID 1473184
(Z)-2-chloro-3-(4-chloroanilino)prop-2-enenitrile
CID 102248601
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
4-chloro-N-[3-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168542960
2-(4-chlorophenyl)-4-oxobut-2-enenitrile
CID 173446875
3-anilino-2-(3-chlorobenzoyl)prop-2-enenitrile
CID 67024226
N-(2-cyano-2-phenylethenyl)benzamide
CID 570201
(E)-2-(4-chlorophenyl)-4-diazobut-2-enenitrile
CID 100941001
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
(Z)-2-(4-chlorophenyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
CID 6195991
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The IUPAC name of 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile (CID 3263591) is 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile.
What is the SMILES notation for 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The canonical SMILES for 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile is N#CC(=CNc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile?
The InChIKey is VBLSFDCBVGTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-14-8-6-12(7-9-14)13(10-17)11-18-15-4-2-1-3-5-15/h1-9,11,18H.
What are the key properties of 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile?
3-anilino-2-(4-chlorophenyl)prop-2-enenitrile has a molecular weight of 254.72 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(4-chlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 3263591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).