2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile

C14H9Cl3N2 — CID 54886328

IUPAC2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3N2/c15-10-1-3-13(4-2-10)19-14(8-18)9-5-11(16)7-12(17)6-9/h1-7,14,19H
InChIKeyZGLZOHAFYAUBAV-UHFFFAOYSA-N
MW311.60 g/mol
LogP5.32
Rot. Bonds3

About 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile

2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile (PubChem CID 54886328) has the molecular formula C14H9Cl3N2 and a molecular weight of 311.60 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
PubChem CID54886328
Molecular FormulaC14H9Cl3N2
Molecular Weight311.60 g/mol
Exact Mass309.98
IUPAC Name2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3N2/c15-10-1-3-13(4-2-10)19-14(8-18)9-5-11(16)7-12(17)6-9/h1-7,14,19H
InChIKeyZGLZOHAFYAUBAV-UHFFFAOYSA-N
XLogP5.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657
4-[(4-chloroanilino)-cyanomethyl]benzonitrile
CID 54886592
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
2-(4-chloroanilino)-2-(4-ethylphenyl)acetonitrile
CID 54886237
2-(4-bromo-3-methylphenyl)-2-(4-chloroanilino)acetonitrile
CID 66480567
2-(4-chloroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60987669
2-(4-bromothiophen-2-yl)-2-(4-chloroanilino)acetonitrile
CID 61346013
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-(4-chloroanilino)propanenitrile
CID 60987659
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 90041010
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile?
The IUPAC name of 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile (CID 54886328) is 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile is N#CC(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile?
The InChIKey is ZGLZOHAFYAUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2/c15-10-1-3-13(4-2-10)19-14(8-18)9-5-11(16)7-12(17)6-9/h1-7,14,19H.
What are the key properties of 2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile?
2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile has a molecular weight of 311.60 g/mol, XLogP of 5.32, 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-(3,5-dichlorophenyl)acetonitrile is sourced from PubChem (CID 54886328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).