2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide

C18H17N3O2 — CID 70137119

IUPAC2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide
SMILESCCN(C(=O)c1ccccc1C(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-21(16-11-20-15-10-6-5-9-14(15)16)18(23)13-8-4-3-7-12(13)17(19)22/h3-11,20H,2H2,1H3,(H2,19,22)
InChIKeyUDXAJQOPSDGALX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.93
Rot. Bonds4

About 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide

2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide (PubChem CID 70137119) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide
PubChem CID70137119
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide
SMILESCCN(C(=O)c1ccccc1C(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-21(16-11-20-15-10-6-5-9-14(15)16)18(23)13-8-4-3-7-12(13)17(19)22/h3-11,20H,2H2,1H3,(H2,19,22)
InChIKeyUDXAJQOPSDGALX-UHFFFAOYSA-N
XLogP2.93
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl (2S)-2-[bis(1H-indol-3-yl)carbamoyl]butanoate
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4-amino-N-(1H-indol-3-yl)-N-methylbenzamide
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3-ethyl-1H-indole;methanamine
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2-[3-(1H-indol-3-yl)propanoylamino]benzamide
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CID 175558503

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide (CID 70137119) is 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide is CCN(C(=O)c1ccccc1C(N)=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide?
The InChIKey is UDXAJQOPSDGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-21(16-11-20-15-10-6-5-9-14(15)16)18(23)13-8-4-3-7-12(13)17(19)22/h3-11,20H,2H2,1H3,(H2,19,22).
What are the key properties of 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide?
2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 70137119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).