2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

C15H12Cl2N2 — CID 2723752

IUPAC2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
SMILESCc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N
InChIInChI=1S/C15H12Cl2N2/c1-9-6-12(14(17)7-15(9)19)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,19H2,1H3
InChIKeySCNVPMWFNDBBQS-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.54
Rot. Bonds2

About 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile

2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile (PubChem CID 2723752) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
PubChem CID2723752
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
SMILESCc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N
InChIInChI=1S/C15H12Cl2N2/c1-9-6-12(14(17)7-15(9)19)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,19H2,1H3
InChIKeySCNVPMWFNDBBQS-UHFFFAOYSA-N
XLogP4.54
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,4'-Methylenebis(3-chloro-2,6-diethylaniline)
CID 86261
4-Amino-4'-chlorodiphenyl
CID 8675
2-Amino-4'-chlorobiphenyl
CID 262261
2,2'-Dichlorobenzidine
CID 66538
2'-Chloro-[1,1'-biphenyl]-4-amine
CID 4127351
1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(2,4-dimethylanilino)-
CID 215465
1,3,5-Benzenetricarbonitrile, 2-(3-chloro-2-methylanilino)-4,6-dichloro-
CID 215469
1,3,5-Benzenetricarbonitrile, 2-(m-chloroanilino)-4,6-dichloro-
CID 215473
3-Chloro-2,6-diethylaniline
CID 597855
4-Amino-2-chloro-alpha-phenylbenzeneacetonitrile
CID 107335
2-Chloro-biphenyl-4-ylamine
CID 39231621
(4-Amino-2-chlorophenyl)(4-chlorophenyl)acetonitrile
CID 3019006

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile (CID 2723752) is 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile is Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1N.
What is the InChIKey of 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile?
The InChIKey is SCNVPMWFNDBBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-9-6-12(14(17)7-15(9)19)13(8-18)10-2-4-11(16)5-3-10/h2-7,13H,19H2,1H3.
What are the key properties of 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile?
2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile has a molecular weight of 291.18 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 2723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).