(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide

C12H14N2O2 — CID 40805370

IUPAC(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(C)=O
InChIInChI=1S/C12H14N2O2/c1-8(15)14-10-6-4-3-5-9(10)7-11(14)12(16)13-2/h3-6,11H,7H2,1-2H3,(H,13,16)/t11-/m1/s1
InChIKeyXKTUHKNIEFAIEF-LLVKDONJSA-N
MW218.26 g/mol
LogP0.71
Rot. Bonds1

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

(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 40805370) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID40805370
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(C)=O
InChIInChI=1S/C12H14N2O2/c1-8(15)14-10-6-4-3-5-9(10)7-11(14)12(16)13-2/h3-6,11H,7H2,1-2H3,(H,13,16)/t11-/m1/s1
InChIKeyXKTUHKNIEFAIEF-LLVKDONJSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide (CID 40805370) is (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@H]1Cc2ccccc2N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is XKTUHKNIEFAIEF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)14-10-6-4-3-5-9(10)7-11(14)12(16)13-2/h3-6,11H,7H2,1-2H3,(H,13,16)/t11-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 40805370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).