2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile

C16H15ClN2 — CID 54886237

IUPAC2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3
InChIKeySEPAYLDHTJTUCP-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.58
Rot. Bonds4

About 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile

2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile (PubChem CID 54886237) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
PubChem CID54886237
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
SMILESCCc1ccc(C(C#N)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3
InChIKeySEPAYLDHTJTUCP-UHFFFAOYSA-N
XLogP4.58
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657
4-[(4-chloroanilino)-cyanomethyl]benzonitrile
CID 54886592
2-(4-chloroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60987669
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
CID 54886328
2-(4-bromo-3-methylphenyl)-2-(4-chloroanilino)acetonitrile
CID 66480567
2-(4-chlorophenyl)-2-(methylamino)acetonitrile;hydrochloride
CID 91664037
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile?
The IUPAC name of 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile (CID 54886237) is 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile is CCc1ccc(C(C#N)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile?
The InChIKey is SEPAYLDHTJTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-12-3-5-13(6-4-12)16(11-18)19-15-9-7-14(17)8-10-15/h3-10,16,19H,2H2,1H3.
What are the key properties of 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile?
2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile is sourced from PubChem (CID 54886237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).