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

C17H15ClN2O — CID 107466723

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H15ClN2O/c1-21-16-4-2-3-12(10-19)17(16)20-15-8-11-5-6-14(18)7-13(11)9-15/h2-7,15,20H,8-9H2,1H3
InChIKeyBSLJHERBQGEOLD-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.80
Rot. Bonds3

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

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile (PubChem CID 107466723) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile
PubChem CID107466723
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C17H15ClN2O/c1-21-16-4-2-3-12(10-19)17(16)20-15-8-11-5-6-14(18)7-13(11)9-15/h2-7,15,20H,8-9H2,1H3
InChIKeyBSLJHERBQGEOLD-UHFFFAOYSA-N
XLogP3.80
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
CID 107466646
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
2-[(1,1-dioxothiolan-3-yl)amino]-3-methoxybenzonitrile
CID 107467134
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
2-(5-chloro-2-methoxyanilino)-3-methylbenzonitrile
CID 107106329
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348600
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
CID 107466821
2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-methoxybenzonitrile
CID 107467634
3-methoxy-2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzonitrile
CID 107466782

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile (CID 107466723) is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile?
The InChIKey is BSLJHERBQGEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-21-16-4-2-3-12(10-19)17(16)20-15-8-11-5-6-14(18)7-13(11)9-15/h2-7,15,20H,8-9H2,1H3.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile?
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile has a molecular weight of 298.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).