2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile

C15H12Cl2N2 — CID 54887307

IUPAC2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c1-10-4-2-3-5-14(10)19-15(9-18)11-6-7-12(16)13(17)8-11/h2-8,15,19H,1H3
InChIKeyIPCPHIYWCUXMCQ-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.98
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile

2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 54887307) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
PubChem CID54887307
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c1-10-4-2-3-5-14(10)19-15(9-18)11-6-7-12(16)13(17)8-11/h2-8,15,19H,1H3
InChIKeyIPCPHIYWCUXMCQ-UHFFFAOYSA-N
XLogP4.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile (CID 54887307) is 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile is Cc1ccccc1NC(C#N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is IPCPHIYWCUXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10-4-2-3-5-14(10)19-15(9-18)11-6-7-12(16)13(17)8-11/h2-8,15,19H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile?
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile has a molecular weight of 291.18 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 54887307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).