2-(4-chloroanilino)-2-cyclopropylacetonitrile

C11H11ClN2 — CID 61310144

IUPAC2-(4-chloroanilino)-2-cyclopropylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H11ClN2/c12-9-3-5-10(6-4-9)14-11(7-13)8-1-2-8/h3-6,8,11,14H,1-2H2
InChIKeySXPKAELYBIRCTB-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-chloroanilino)-2-cyclopropylacetonitrile

2-(4-chloroanilino)-2-cyclopropylacetonitrile (PubChem CID 61310144) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-cyclopropylacetonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-cyclopropylacetonitrile
PubChem CID61310144
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-(4-chloroanilino)-2-cyclopropylacetonitrile
SMILESN#CC(Nc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H11ClN2/c12-9-3-5-10(6-4-9)14-11(7-13)8-1-2-8/h3-6,8,11,14H,1-2H2
InChIKeySXPKAELYBIRCTB-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-cyclopentylacetonitrile
CID 62071071
2-cyclohexyl-2-(4-methylanilino)acetonitrile
CID 54886450
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-(4-bromoanilino)-2-(4-tert-butylcyclohexyl)acetonitrile
CID 104575489
2-(3-chloroanilino)-2-(oxan-4-yl)acetonitrile
CID 55066228
2-(4-chlorophenyl)-N-[cyano(cyclopropyl)methyl]acetamide
CID 63822496
2-(4-chloroanilino)propanenitrile
CID 60987659
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
5-chloro-N-[cyano(cyclopropyl)methyl]-2-iodobenzamide
CID 113233627
2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
CID 54886328
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
CID 62071587
2-(4-chloroanilino)-2-(4-propan-2-ylphenyl)acetonitrile
CID 60987657

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-cyclopropylacetonitrile?
The IUPAC name of 2-(4-chloroanilino)-2-cyclopropylacetonitrile (CID 61310144) is 2-(4-chloroanilino)-2-cyclopropylacetonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-2-cyclopropylacetonitrile?
The canonical SMILES for 2-(4-chloroanilino)-2-cyclopropylacetonitrile is N#CC(Nc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chloroanilino)-2-cyclopropylacetonitrile?
The InChIKey is SXPKAELYBIRCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-9-3-5-10(6-4-9)14-11(7-13)8-1-2-8/h3-6,8,11,14H,1-2H2.
What are the key properties of 2-(4-chloroanilino)-2-cyclopropylacetonitrile?
2-(4-chloroanilino)-2-cyclopropylacetonitrile has a molecular weight of 206.68 g/mol, XLogP of 3.05, 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-cyclopropylacetonitrile is sourced from PubChem (CID 61310144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).