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

C14H11ClN2 — CID 29031552

IUPAC4-(3-chloro-2-methylanilino)benzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2/c1-10-13(15)3-2-4-14(10)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyXDYNBKCZOFTBTQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.26
Rot. Bonds2

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

4-(3-chloro-2-methylanilino)benzonitrile (PubChem CID 29031552) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(3-chloro-2-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-(3-chloro-2-methylanilino)benzonitrile
PubChem CID29031552
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-(3-chloro-2-methylanilino)benzonitrile
SMILESCc1c(Cl)cccc1Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2/c1-10-13(15)3-2-4-14(10)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyXDYNBKCZOFTBTQ-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027234
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
4-(2,3-difluoroanilino)benzonitrile
CID 61076836
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
4-(2-amino-3-iodoanilino)benzonitrile
CID 57195798
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylanilino)benzonitrile?
The IUPAC name of 4-(3-chloro-2-methylanilino)benzonitrile (CID 29031552) is 4-(3-chloro-2-methylanilino)benzonitrile.
What is the SMILES notation for 4-(3-chloro-2-methylanilino)benzonitrile?
The canonical SMILES for 4-(3-chloro-2-methylanilino)benzonitrile is Cc1c(Cl)cccc1Nc1ccc(C#N)cc1.
What is the InChIKey of 4-(3-chloro-2-methylanilino)benzonitrile?
The InChIKey is XDYNBKCZOFTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-13(15)3-2-4-14(10)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3.
What are the key properties of 4-(3-chloro-2-methylanilino)benzonitrile?
4-(3-chloro-2-methylanilino)benzonitrile has a molecular weight of 242.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylanilino)benzonitrile is sourced from PubChem (CID 29031552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).