2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile

C14H11ClN2O — CID 54887017

IUPAC2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H11ClN2O/c15-11-4-2-5-12(8-11)17-14(9-16)10-3-1-6-13(18)7-10/h1-8,14,17-18H
InChIKeyDFQSODIHTJUJMQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.72
Rot. Bonds3

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

2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 54887017) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
PubChem CID54887017
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C14H11ClN2O/c15-11-4-2-5-12(8-11)17-14(9-16)10-3-1-6-13(18)7-10/h1-8,14,17-18H
InChIKeyDFQSODIHTJUJMQ-UHFFFAOYSA-N
XLogP3.72
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-chloroanilino)-2-(3,4-dihydroxyphenyl)acetonitrile
CID 54887295
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
5-[(3-chloroanilino)-cyanomethyl]-2-fluorobenzonitrile
CID 107936312
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489
(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
2-(3-chloroanilino)-2-(2-ethylphenyl)acetonitrile
CID 62415277
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
2-(4-bromo-2-fluorophenyl)-2-(3-chloroanilino)acetonitrile
CID 54887298
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile (CID 54887017) is 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile is N#CC(Nc1cccc(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is DFQSODIHTJUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-4-2-5-12(8-11)17-14(9-16)10-3-1-6-13(18)7-10/h1-8,14,17-18H.
What are the key properties of 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile?
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 54887017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).