(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile

C19H12ClN — CID 6073171

IUPAC(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H12ClN/c20-17-10-8-14(9-11-17)12-16(13-21)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H/b16-12+
InChIKeyJBDMGKHGEGERSC-FOWTUZBSSA-N
MW289.77 g/mol
LogP5.56
Rot. Bonds2

About (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile

(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile (PubChem CID 6073171) has the molecular formula C19H12ClN and a molecular weight of 289.77 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
PubChem CID6073171
Molecular FormulaC19H12ClN
Molecular Weight289.77 g/mol
Exact Mass289.07
IUPAC Name(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H12ClN/c20-17-10-8-14(9-11-17)12-16(13-21)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H/b16-12+
InChIKeyJBDMGKHGEGERSC-FOWTUZBSSA-N
XLogP5.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.77
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-(2-chlorophenyl)-3-(4-phenylsulfanylphenyl)prop-2-enenitrile
CID 3447888
3-(4-chlorophenyl)-2-(3-hydroxyphenyl)prop-2-enenitrile
CID 66746876
(Z)-3-(4-bromo-1H-pyrrol-2-yl)-2-naphthalen-1-ylprop-2-enenitrile
CID 68582287
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
(E)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]-2-naphthalen-1-ylprop-2-enenitrile
CID 126324966
2-(2-chlorophenyl)-3-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
CID 4261726
(E)-3-(4-chlorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135468676
2-(2-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3434327
2-(2-chlorophenyl)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 5156155
2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 3707219

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile (CID 6073171) is (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile is N#C/C(=C\c1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile?
The InChIKey is JBDMGKHGEGERSC-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H12ClN/c20-17-10-8-14(9-11-17)12-16(13-21)19-7-3-5-15-4-1-2-6-18(15)19/h1-12H/b16-12+.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile?
(Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile has a molecular weight of 289.77 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-naphthalen-1-ylprop-2-enenitrile is sourced from PubChem (CID 6073171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).