1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide

C18H17N3O3 — CID 51266821

IUPAC1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C18H17N3O3/c1-11(22)21-9-8-12-10-13(6-7-16(12)21)18(24)20-15-5-3-2-4-14(15)17(19)23/h2-7,10H,8-9H2,1H3,(H2,19,23)(H,20,24)
InChIKeyFGDNKSURMQYYIT-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.95
Rot. Bonds3

About 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 51266821) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID51266821
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C18H17N3O3/c1-11(22)21-9-8-12-10-13(6-7-16(12)21)18(24)20-15-5-3-2-4-14(15)17(19)23/h2-7,10H,8-9H2,1H3,(H2,19,23)(H,20,24)
InChIKeyFGDNKSURMQYYIT-UHFFFAOYSA-N
XLogP1.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2,3-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 29284026
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
1-acetyl-N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 34717716
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529414
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-(2,4,6-trimethyl-3-pyridinyl)-2,3-dihydroindole-5-carboxamide
CID 78859744
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide (CID 51266821) is 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21.
What is the InChIKey of 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is FGDNKSURMQYYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(22)21-9-8-12-10-13(6-7-16(12)21)18(24)20-15-5-3-2-4-14(15)17(19)23/h2-7,10H,8-9H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51266821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).