4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile

C14H7Cl2N3 — CID 64916790

IUPAC4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H7Cl2N3/c15-11-3-4-13(10(5-11)8-18)19-14-6-12(16)2-1-9(14)7-17/h1-6,19H
InChIKeyFCNXVNUKPPGXJY-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.48
Rot. Bonds2

About 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile

4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile (PubChem CID 64916790) has the molecular formula C14H7Cl2N3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
PubChem CID64916790
Molecular FormulaC14H7Cl2N3
Molecular Weight288.14 g/mol
Exact Mass287.00
IUPAC Name4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H7Cl2N3/c15-11-3-4-13(10(5-11)8-18)19-14-6-12(16)2-1-9(14)7-17/h1-6,19H
InChIKeyFCNXVNUKPPGXJY-UHFFFAOYSA-N
XLogP4.48
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55194781
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
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5-chloro-2-(4-iodoanilino)benzonitrile
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2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
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2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
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5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile?
The IUPAC name of 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile (CID 64916790) is 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile?
The canonical SMILES for 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile is N#Cc1cc(Cl)ccc1Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile?
The InChIKey is FCNXVNUKPPGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3/c15-11-3-4-13(10(5-11)8-18)19-14-6-12(16)2-1-9(14)7-17/h1-6,19H.
What are the key properties of 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile?
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile is sourced from PubChem (CID 64916790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).