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

C16H23ClN2O — CID 81333692

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H23ClN2O/c1-10(2)6-15(16(20)18-3)19-14-8-11-4-5-13(17)7-12(11)9-14/h4-5,7,10,14-15,19H,6,8-9H2,1-3H3,(H,18,20)
InChIKeyNNKAVRLIHNGYCC-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.56
Rot. Bonds5

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

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide (PubChem CID 81333692) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide
PubChem CID81333692
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H23ClN2O/c1-10(2)6-15(16(20)18-3)19-14-8-11-4-5-13(17)7-12(11)9-14/h4-5,7,10,14-15,19H,6,8-9H2,1-3H3,(H,18,20)
InChIKeyNNKAVRLIHNGYCC-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
CID 81328281
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
CID 113376014
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutanoic acid
CID 113291789
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,4-dimethylpentanamide
CID 43792172
5-chloro-N-[1-(2-chlorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 115348779
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
N,4-dimethyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 81333582
1-(3-chlorophenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55820288
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349151
N,4-dimethyl-2-[(3-propan-2-ylcyclohexyl)amino]pentanamide
CID 107448285

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide (CID 81333692) is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide?
The InChIKey is NNKAVRLIHNGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-10(2)6-15(16(20)18-3)19-14-8-11-4-5-13(17)7-12(11)9-14/h4-5,7,10,14-15,19H,6,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide?
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide has a molecular weight of 294.83 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 81333692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).