4-(4-chloroanilino)-2-methylbenzonitrile

C14H11ClN2 — CID 81277228

IUPAC4-(4-chloroanilino)-2-methylbenzonitrile
SMILESCc1cc(Nc2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C14H11ClN2/c1-10-8-14(5-2-11(10)9-16)17-13-6-3-12(15)4-7-13/h2-8,17H,1H3
InChIKeyBZWBZHKALPYQFD-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.26
Rot. Bonds2

About 4-(4-chloroanilino)-2-methylbenzonitrile

4-(4-chloroanilino)-2-methylbenzonitrile (PubChem CID 81277228) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(4-chloroanilino)-2-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-chloroanilino)-2-methylbenzonitrile
PubChem CID81277228
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-(4-chloroanilino)-2-methylbenzonitrile
SMILESCc1cc(Nc2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C14H11ClN2/c1-10-8-14(5-2-11(10)9-16)17-13-6-3-12(15)4-7-13/h2-8,17H,1H3
InChIKeyBZWBZHKALPYQFD-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

2-methyl-4-(2,4,5-trichloroanilino)benzonitrile
CID 81278130
CID 163827776
CID 163827776
4-(2-chlorohydrazinyl)-2-methylbenzonitrile
CID 22118357
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
2-methyl-4-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 107585523
4-(5-bromo-2-chloroanilino)-2-methylbenzonitrile
CID 81282579
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033
2-methyl-4-[3-(trifluoromethyl)anilino]benzonitrile
CID 81278129
azane;carbonic acid;4-chloro-2-methylbenzonitrile
CID 175133680
4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-2-methylbenzonitrile?
The IUPAC name of 4-(4-chloroanilino)-2-methylbenzonitrile (CID 81277228) is 4-(4-chloroanilino)-2-methylbenzonitrile.
What is the SMILES notation for 4-(4-chloroanilino)-2-methylbenzonitrile?
The canonical SMILES for 4-(4-chloroanilino)-2-methylbenzonitrile is Cc1cc(Nc2ccc(Cl)cc2)ccc1C#N.
What is the InChIKey of 4-(4-chloroanilino)-2-methylbenzonitrile?
The InChIKey is BZWBZHKALPYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-10-8-14(5-2-11(10)9-16)17-13-6-3-12(15)4-7-13/h2-8,17H,1H3.
What are the key properties of 4-(4-chloroanilino)-2-methylbenzonitrile?
4-(4-chloroanilino)-2-methylbenzonitrile 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-(4-chloroanilino)-2-methylbenzonitrile is sourced from PubChem (CID 81277228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).