2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile

C16H15ClN2 — CID 62415277

IUPAC2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
SMILESCCc1ccccc1C(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-2-12-6-3-4-9-15(12)16(11-18)19-14-8-5-7-13(17)10-14/h3-10,16,19H,2H2,1H3
InChIKeyFSFPKFHMDNCNMM-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.58
Rot. Bonds4

About 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile

2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile (PubChem CID 62415277) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
PubChem CID62415277
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
SMILESCCc1ccccc1C(C#N)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-2-12-6-3-4-9-15(12)16(11-18)19-14-8-5-7-13(17)10-14/h3-10,16,19H,2H2,1H3
InChIKeyFSFPKFHMDNCNMM-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-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
CID 112669629
2-(3-chloroanilino)-3-methylpentanenitrile
CID 61319933
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
2-(3-chloroanilino)-2-(3,4-dihydroxyphenyl)acetonitrile
CID 54887295
5-[(3-chloroanilino)-cyanomethyl]-2-fluorobenzonitrile
CID 107936312
3-chloro-N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]aniline
CID 21210989
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
3-(2-ethylphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79132676
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
2-cyano-2-(2-ethylphenyl)acetic acid
CID 66922918

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile?
The IUPAC name of 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile (CID 62415277) is 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile?
The canonical SMILES for 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile is CCc1ccccc1C(C#N)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile?
The InChIKey is FSFPKFHMDNCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-12-6-3-4-9-15(12)16(11-18)19-14-8-5-7-13(17)10-14/h3-10,16,19H,2H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile?
2-(3-chloroanilino)-2-(2-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-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile is sourced from PubChem (CID 62415277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).