N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide

C17H24ClNO — CID 114302098

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H24ClNO/c1-3-5-8-12(4-2)17(20)19-16-14-10-7-6-9-13(14)11-15(16)18/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3,(H,19,20)
InChIKeyFNXWLBYYPJYMPE-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.22
Rot. Bonds6

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide (PubChem CID 114302098) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide
PubChem CID114302098
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H24ClNO/c1-3-5-8-12(4-2)17(20)19-16-14-10-7-6-9-13(14)11-15(16)18/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3,(H,19,20)
InChIKeyFNXWLBYYPJYMPE-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.22
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

N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 302326
N-(2,3-Dihydro-1H-inden-1-yl)-4-(dimethylamino)butanimidic acid
CID 110880
4-(Diethylamino)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid--hydrogen chloride (1/1)
CID 115647
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)acetamide
CID 4104992
(S)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 9812894
N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 9815371
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 14511480
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-methylphenyl)propanamide
CID 40084292
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopentanecarboxamide
CID 47380198
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanamide
CID 47380308
6-chloro-5-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-1-fluorocyclohexa-2,4-diene-1-carboxamide
CID 68604581
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 151386145

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide (CID 114302098) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)NC1c2ccccc2CC1Cl.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide?
The InChIKey is FNXWLBYYPJYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-3-5-8-12(4-2)17(20)19-16-14-10-7-6-9-13(14)11-15(16)18/h6-7,9-10,12,15-16H,3-5,8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide has a molecular weight of 293.84 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide is sourced from PubChem (CID 114302098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).