N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide

C12H13ClN2O2 — CID 43146117

IUPACN-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NC(=O)CCl
InChIInChI=1S/C12H13ClN2O2/c1-8-6-9-4-2-3-5-10(9)15(8)12(17)14-11(16)7-13/h2-5,8H,6-7H2,1H3,(H,14,16,17)
InChIKeyWJPKPSWGSYLLNI-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.91
Rot. Bonds1

About N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide

N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 43146117) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID43146117
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NC(=O)CCl
InChIInChI=1S/C12H13ClN2O2/c1-8-6-9-4-2-3-5-10(9)15(8)12(17)14-11(16)7-13/h2-5,8H,6-7H2,1H3,(H,14,16,17)
InChIKeyWJPKPSWGSYLLNI-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
N-[3-(2-chlorophenoxy)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108883584
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 97094963

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide (CID 43146117) is N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NC(=O)CCl.
What is the InChIKey of N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is WJPKPSWGSYLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-6-9-4-2-3-5-10(9)15(8)12(17)14-11(16)7-13/h2-5,8H,6-7H2,1H3,(H,14,16,17).
What are the key properties of N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide?
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 43146117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).