(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide

C17H17N3O2 — CID 41429200

IUPAC(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O2/c18-16(21)15-10-13-8-4-5-9-14(13)20(15)17(22)19-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,21)(H,19,22)/t15-/m0/s1
InChIKeyPCBXWCABUSXZED-HNNXBMFYSA-N
MW295.34 g/mol
LogP1.81
Rot. Bonds3

About (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide

(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide (PubChem CID 41429200) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
PubChem CID41429200
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O2/c18-16(21)15-10-13-8-4-5-9-14(13)20(15)17(22)19-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,21)(H,19,22)/t15-/m0/s1
InChIKeyPCBXWCABUSXZED-HNNXBMFYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
(2R)-1-N-(1,3-benzodioxol-5-yl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41429186
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide (CID 41429200) is (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide is NC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide?
The InChIKey is PCBXWCABUSXZED-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-16(21)15-10-13-8-4-5-9-14(13)20(15)17(22)19-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide?
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide is sourced from PubChem (CID 41429200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).