2-(4-chloroanilino)-2-phenylacetonitrile

C14H11ClN2 — CID 3083866

IUPAC2-(4-chloroanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChIKeyPEMLGSVHDFCRIY-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-chloroanilino)-2-phenylacetonitrile

2-(4-chloroanilino)-2-phenylacetonitrile (PubChem CID 3083866) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-phenylacetonitrile
PubChem CID3083866
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(4-chloroanilino)-2-phenylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChIKeyPEMLGSVHDFCRIY-UHFFFAOYSA-N
XLogP4.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-phenylacetonitrile?
The IUPAC name of 2-(4-chloroanilino)-2-phenylacetonitrile (CID 3083866) is 2-(4-chloroanilino)-2-phenylacetonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-phenylacetonitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-phenylacetonitrile is N#CC(Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-2-phenylacetonitrile?
The InChIKey is PEMLGSVHDFCRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H.
What are the key properties of 2-(4-chloroanilino)-2-phenylacetonitrile?
2-(4-chloroanilino)-2-phenylacetonitrile has a molecular weight of 242.71 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-phenylacetonitrile is sourced from PubChem (CID 3083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).