3-chloro-4-(3-chloroanilino)benzonitrile

C13H8Cl2N2 — CID 63510074

IUPAC3-chloro-4-(3-chloroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H
InChIKeyWHWFKXNHALEMMD-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.61
Rot. Bonds2

About 3-chloro-4-(3-chloroanilino)benzonitrile

3-chloro-4-(3-chloroanilino)benzonitrile (PubChem CID 63510074) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-chloro-4-(3-chloroanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(3-chloroanilino)benzonitrile
PubChem CID63510074
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC Name3-chloro-4-(3-chloroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H
InChIKeyWHWFKXNHALEMMD-UHFFFAOYSA-N
XLogP4.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3,5-dichloroanilino)benzonitrile
CID 63509890
3-chloro-4-(3-methoxyanilino)benzonitrile
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5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 55196697
3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
CID 114251227
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
CID 107810668
3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107809610
4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloroanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(3-chloroanilino)benzonitrile (CID 63510074) is 3-chloro-4-(3-chloroanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(3-chloroanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(3-chloroanilino)benzonitrile is N#Cc1ccc(Nc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-chloroanilino)benzonitrile?
The InChIKey is WHWFKXNHALEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,17H.
What are the key properties of 3-chloro-4-(3-chloroanilino)benzonitrile?
3-chloro-4-(3-chloroanilino)benzonitrile has a molecular weight of 263.13 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloroanilino)benzonitrile is sourced from PubChem (CID 63510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).