2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile

C24H16ClNO — CID 102526250

IUPAC2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1oc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClNO/c25-20-13-11-18(12-14-20)21-15-23(19-9-5-2-6-10-19)27-24(21)22(16-26)17-7-3-1-4-8-17/h1-15,22H
InChIKeyLAALMUVMPNDEGC-UHFFFAOYSA-N
MW369.85 g/mol
LogP6.92
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile

2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile (PubChem CID 102526250) has the molecular formula C24H16ClNO and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile
PubChem CID102526250
Molecular FormulaC24H16ClNO
Molecular Weight369.85 g/mol
Exact Mass369.09
IUPAC Name2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1oc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H16ClNO/c25-20-13-11-18(12-14-20)21-15-23(19-9-5-2-6-10-19)27-24(21)22(16-26)17-7-3-1-4-8-17/h1-15,22H
InChIKeyLAALMUVMPNDEGC-UHFFFAOYSA-N
XLogP6.92
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,5-diphenylfuran-2-yl)propyl]-3,5-diphenylfuran
CID 102516558
2-chloro-3,5-diphenylfuran
CID 10824877
4-[2-(3-chlorophenyl)-5-phenylfuran-3-yl]benzonitrile
CID 53349735
ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
CID 24751968
(2S)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]-2-phenylacetonitrile
CID 6404660
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
CID 26793141
3-(4-chlorophenyl)-2,4-diphenylpentanedinitrile
CID 11428266
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile
CID 175435840
2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile
CID 6409757

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile (CID 102526250) is 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile is N#CC(c1ccccc1)c1oc(-c2ccccc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile?
The InChIKey is LAALMUVMPNDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO/c25-20-13-11-18(12-14-20)21-15-23(19-9-5-2-6-10-19)27-24(21)22(16-26)17-7-3-1-4-8-17/h1-15,22H.
What are the key properties of 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile?
2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile has a molecular weight of 369.85 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-phenylfuran-2-yl]-2-phenylacetonitrile is sourced from PubChem (CID 102526250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).