4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile

C17H14Cl2N2 — CID 43681675

IUPAC4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C17H14Cl2N2/c18-13-6-5-11(10-20)17(9-13)21-14-7-12(8-14)15-3-1-2-4-16(15)19/h1-6,9,12,14,21H,7-8H2
InChIKeyHFYCNQPNZAFCPE-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.22
Rot. Bonds3

About 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile

4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile (PubChem CID 43681675) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
PubChem CID43681675
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C17H14Cl2N2/c18-13-6-5-11(10-20)17(9-13)21-14-7-12(8-14)15-3-1-2-4-16(15)19/h1-6,9,12,14,21H,7-8H2
InChIKeyHFYCNQPNZAFCPE-UHFFFAOYSA-N
XLogP5.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 82692709
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
CID 107803326
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
4-chloro-2-(thian-4-ylamino)benzonitrile
CID 43681711
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
4-chloro-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817293
4-chloro-2-[(3,3,5-trimethylcyclohexyl)amino]benzonitrile
CID 43681600
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
3-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 104775924
4-chloro-2-[(1,2-dimethylpiperidin-4-yl)amino]benzonitrile
CID 79033920

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile?
The IUPAC name of 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile (CID 43681675) is 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile is N#Cc1ccc(Cl)cc1NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile?
The InChIKey is HFYCNQPNZAFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-13-6-5-11(10-20)17(9-13)21-14-7-12(8-14)15-3-1-2-4-16(15)19/h1-6,9,12,14,21H,7-8H2.
What are the key properties of 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile?
4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile has a molecular weight of 317.22 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile is sourced from PubChem (CID 43681675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).