4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile

C17H15ClN2 — CID 43780560

IUPAC4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H15ClN2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16,20H,6,8-9H2
InChIKeySVGWHFSDAMLNTQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.18
Rot. Bonds2

About 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile

4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile (PubChem CID 43780560) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
PubChem CID43780560
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCc2ccccc2C1
InChIInChI=1S/C17H15ClN2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16,20H,6,8-9H2
InChIKeySVGWHFSDAMLNTQ-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43755235
4-chloro-2-(thian-4-ylamino)benzonitrile
CID 43681711
4-chloro-2-[[3-(2-chlorophenyl)cyclobutyl]amino]benzonitrile
CID 43681675
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
4-chloro-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 133357287
4-chloro-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817293
4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107682000
4-chloro-2-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 43681516
5-amino-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-3-carbonitrile
CID 62304916
5-chloro-2-(cyclopropylamino)benzonitrile
CID 62494157
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile (CID 43780560) is 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile is N#Cc1ccc(Cl)cc1NC1CCc2ccccc2C1.
What is the InChIKey of 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile?
The InChIKey is SVGWHFSDAMLNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-5,7,10,16,20H,6,8-9H2.
What are the key properties of 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile?
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile has a molecular weight of 282.77 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile is sourced from PubChem (CID 43780560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).