(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile

C23H17ClN2 — CID 135071522

IUPAC(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\Nc1ccc(Cl)cc1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17ClN2/c24-21-13-14-22(20(17-21)12-11-18-7-3-1-4-8-18)26-23(15-16-25)19-9-5-2-6-10-19/h1-15,17,26H/b12-11+,23-15-
InChIKeyVFHHXELXDCDBKM-YFHATWHHSA-N
MW356.86 g/mol
LogP6.49
Rot. Bonds5

About (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile

(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile (PubChem CID 135071522) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
PubChem CID135071522
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
SMILESN#C/C=C(\Nc1ccc(Cl)cc1/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H17ClN2/c24-21-13-14-22(20(17-21)12-11-18-7-3-1-4-8-18)26-23(15-16-25)19-9-5-2-6-10-19/h1-15,17,26H/b12-11+,23-15-
InChIKeyVFHHXELXDCDBKM-YFHATWHHSA-N
XLogP6.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-1,3-diphenylprop-2-en-1-one
CID 135072365
(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile
CID 11108538
(3R)-3-[4-chloro-2-(2-phenylethenyl)anilino]butanoic acid;hydrochloride
CID 66724785
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
4-chloro-2-[(E)-2-phenylethenyl]benzamide
CID 10106537
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
(E)-3-(4-chloro-2-iodoanilino)-1,3-diphenylprop-2-en-1-one
CID 166437412
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide
CID 102109148
4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium
CID 57110541
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile (CID 135071522) is (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile is N#C/C=C(\Nc1ccc(Cl)cc1/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile?
The InChIKey is VFHHXELXDCDBKM-YFHATWHHSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-21-13-14-22(20(17-21)12-11-18-7-3-1-4-8-18)26-23(15-16-25)19-9-5-2-6-10-19/h1-15,17,26H/b12-11+,23-15-.
What are the key properties of (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile?
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile has a molecular weight of 356.86 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile is sourced from PubChem (CID 135071522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).