4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile

C16H13ClN2O — CID 107682000

IUPAC4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C16H13ClN2O/c17-12-3-1-11(9-18)16(8-12)19-15-6-2-10-7-13(20)4-5-14(10)15/h1,3-5,7-8,15,19-20H,2,6H2
InChIKeyJOQNCTGMRSNCKO-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile

4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile (PubChem CID 107682000) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
PubChem CID107682000
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NC1CCc2cc(O)ccc21
InChIInChI=1S/C16H13ClN2O/c17-12-3-1-11(9-18)16(8-12)19-15-6-2-10-7-13(20)4-5-14(10)15/h1,3-5,7-8,15,19-20H,2,6H2
InChIKeyJOQNCTGMRSNCKO-UHFFFAOYSA-N
XLogP4.02
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107632388
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682192
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
4-chloro-2-(thian-4-ylamino)benzonitrile
CID 43681711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile?
The IUPAC name of 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile (CID 107682000) is 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile is N#Cc1ccc(Cl)cc1NC1CCc2cc(O)ccc21.
What is the InChIKey of 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile?
The InChIKey is JOQNCTGMRSNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-3-1-11(9-18)16(8-12)19-15-6-2-10-7-13(20)4-5-14(10)15/h1,3-5,7-8,15,19-20H,2,6H2.
What are the key properties of 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile?
4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile has a molecular weight of 284.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile is sourced from PubChem (CID 107682000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).