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

C15H11Cl2N — CID 175435840

IUPAC2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2N/c1-10-2-4-11(5-3-10)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,1H3
InChIKeyAQAAFPNKJUWUDP-UHFFFAOYSA-N
MW276.17 g/mol
LogP4.96
Rot. Bonds2

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

2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile (PubChem CID 175435840) has the molecular formula C15H11Cl2N and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile
PubChem CID175435840
Molecular FormulaC15H11Cl2N
Molecular Weight276.17 g/mol
Exact Mass275.03
IUPAC Name2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2N/c1-10-2-4-11(5-3-10)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,1H3
InChIKeyAQAAFPNKJUWUDP-UHFFFAOYSA-N
XLogP4.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
2,2-bis(3-methylphenyl)acetonitrile
CID 71128021
2-(4-methylphenyl)-2-sulfanylacetonitrile
CID 23207846
2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile
CID 142074998
(2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CID 736102
2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
(2R)-2-(4-methylphenyl)ethane-1,1,2-tricarbonitrile
CID 124673889
(2S)-3-methyl-2-(4-methylphenyl)butanenitrile
CID 40768189
2-(5-amino-2-pyridinyl)-2-(4-methylphenyl)acetonitrile
CID 82080462
2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
CID 18802151
2-(4-tert-butyl-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CID 153315431
2,3-dihydroxy-3-(4-methylphenyl)propanenitrile
CID 171869656

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile (CID 175435840) is 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile is Cc1ccc(C(C#N)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile?
The InChIKey is AQAAFPNKJUWUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N/c1-10-2-4-11(5-3-10)15(9-18)12-6-13(16)8-14(17)7-12/h2-8,15H,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile?
2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile has a molecular weight of 276.17 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 175435840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).