2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide

C15H21ClN2O — CID 119746692

IUPAC2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O/c1-3-9-15(2,17)14(19)18-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13H,3,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRYEMEWMXDAGTCU-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide

2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide (PubChem CID 119746692) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
PubChem CID119746692
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O/c1-3-9-15(2,17)14(19)18-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13H,3,7-9,17H2,1-2H3,(H,18,19)
InChIKeyRYEMEWMXDAGTCU-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119746677
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
CID 56819408
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
CID 75514637
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
CID 119814099
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111505257
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide (CID 119746692) is 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)NC1CCc2c(Cl)cccc21.
What is the InChIKey of 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The InChIKey is RYEMEWMXDAGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-9-15(2,17)14(19)18-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13H,3,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide has a molecular weight of 280.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide is sourced from PubChem (CID 119746692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).