3-chloro-4-(2-chloro-3-methylanilino)benzonitrile

C14H10Cl2N2 — CID 114251227

IUPAC3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
SMILESCc1cccc(Nc2ccc(C#N)cc2Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2/c1-9-3-2-4-13(14(9)16)18-12-6-5-10(8-17)7-11(12)15/h2-7,18H,1H3
InChIKeyJDLZVDYLPDDXQY-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.92
Rot. Bonds2

About 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile

3-chloro-4-(2-chloro-3-methylanilino)benzonitrile (PubChem CID 114251227) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
PubChem CID114251227
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
SMILESCc1cccc(Nc2ccc(C#N)cc2Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2/c1-9-3-2-4-13(14(9)16)18-12-6-5-10(8-17)7-11(12)15/h2-7,18H,1H3
InChIKeyJDLZVDYLPDDXQY-UHFFFAOYSA-N
XLogP4.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile (CID 114251227) is 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile is Cc1cccc(Nc2ccc(C#N)cc2Cl)c1Cl.
What is the InChIKey of 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile?
The InChIKey is JDLZVDYLPDDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-9-3-2-4-13(14(9)16)18-12-6-5-10(8-17)7-11(12)15/h2-7,18H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile?
3-chloro-4-(2-chloro-3-methylanilino)benzonitrile has a molecular weight of 277.15 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-3-methylanilino)benzonitrile is sourced from PubChem (CID 114251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).