(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide

C15H20ClNO — CID 22883510

IUPAC(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)[C@H](C)Cl)c21
InChIInChI=1S/C15H20ClNO/c1-9-8-15(3,4)11-6-5-7-12(13(9)11)17-14(18)10(2)16/h5-7,9-10H,8H2,1-4H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyHZMKDHDBXOTRBI-AXDSSHIGSA-N
MW265.78 g/mol
LogP4.04
Rot. Bonds2

About (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide

(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide (PubChem CID 22883510) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide
PubChem CID22883510
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)[C@H](C)Cl)c21
InChIInChI=1S/C15H20ClNO/c1-9-8-15(3,4)11-6-5-7-12(13(9)11)17-14(18)10(2)16/h5-7,9-10H,8H2,1-4H3,(H,17,18)/t9?,10-/m0/s1
InChIKeyHZMKDHDBXOTRBI-AXDSSHIGSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)thiophene-2-carboxamide
CID 14054115
2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
CID 67894191
(3S)-1,1,3-trimethyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]-2,3-dihydroinden-4-amine
CID 5391373
3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 141375746
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 121331448

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide (CID 22883510) is (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide is CC1CC(C)(C)c2cccc(NC(=O)[C@H](C)Cl)c21.
What is the InChIKey of (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide?
The InChIKey is HZMKDHDBXOTRBI-AXDSSHIGSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-9-8-15(3,4)11-6-5-7-12(13(9)11)17-14(18)10(2)16/h5-7,9-10H,8H2,1-4H3,(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide?
(2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide has a molecular weight of 265.78 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)propanamide is sourced from PubChem (CID 22883510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).