6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

C18H19FN4O4 — CID 166691946

IUPAC6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
SMILESO=CC(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H19FN4O4/c19-12-2-1-10-6-15(23-14(10)7-12)18(27)21-8-16(25)22-13(9-24)5-11-3-4-20-17(11)26/h1-2,6-7,9,11,13,23H,3-5,8H2,(H,20,26)(H,21,27)(H,22,25)
InChIKeyKNHIHPOYRBHTLW-UHFFFAOYSA-N
MW374.37 g/mol
LogP0.25
Rot. Bonds7

About 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 166691946) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
PubChem CID166691946
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
SMILESO=CC(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H19FN4O4/c19-12-2-1-10-6-15(23-14(10)7-12)18(27)21-8-16(25)22-13(9-24)5-11-3-4-20-17(11)26/h1-2,6-7,9,11,13,23H,3-5,8H2,(H,20,26)(H,21,27)(H,22,25)
InChIKeyKNHIHPOYRBHTLW-UHFFFAOYSA-N
XLogP0.25
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-methylcyclohexane;N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 145343855
4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 167244126
N-[2-oxo-2-[[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(2,3,5,6-tetrafluorophenoxy)butan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 163226879
6-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 170263274
5-methyl-N-[2-oxo-2-[[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 167244133
N-[2-[[(2S)-4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-7-fluoro-1H-indole-2-carboxamide
CID 170611255
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 146672918
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
7-fluoro-N-[2-[[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide;methylcyclopropane
CID 170611284
5,7-difluoro-N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 170446795
N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
CID 170263586
[3-[[2-(1H-indole-2-carbonylamino)acetyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butyl] heptanoate;propane
CID 166537640

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide (CID 166691946) is 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide is O=CC(CC1CCNC1=O)NC(=O)CNC(=O)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is KNHIHPOYRBHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c19-12-2-1-10-6-15(23-14(10)7-12)18(27)21-8-16(25)22-13(9-24)5-11-3-4-20-17(11)26/h1-2,6-7,9,11,13,23H,3-5,8H2,(H,20,26)(H,21,27)(H,22,25).
What are the key properties of 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166691946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).