4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

C18H18Cl2N4O4 — CID 167244126

IUPAC4,6-dichloro-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)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H18Cl2N4O4/c19-10-4-13(20)12-6-15(24-14(12)5-10)18(28)22-7-16(26)23-11(8-25)3-9-1-2-21-17(9)27/h4-6,8-9,11,24H,1-3,7H2,(H,21,27)(H,22,28)(H,23,26)
InChIKeyOVKOJIBCMUHZCF-UHFFFAOYSA-N
MW425.27 g/mol
LogP1.41
Rot. Bonds7

About 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide

4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 167244126) has the molecular formula C18H18Cl2N4O4 and a molecular weight of 425.27 g/mol. Its IUPAC name is 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
PubChem CID167244126
Molecular FormulaC18H18Cl2N4O4
Molecular Weight425.27 g/mol
Exact Mass424.07
IUPAC Name4,6-dichloro-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)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C18H18Cl2N4O4/c19-10-4-13(20)12-6-15(24-14(12)5-10)18(28)22-7-16(26)23-11(8-25)3-9-1-2-21-17(9)27/h4-6,8-9,11,24H,1-3,7H2,(H,21,27)(H,22,28)(H,23,26)
InChIKeyOVKOJIBCMUHZCF-UHFFFAOYSA-N
XLogP1.41
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 51.41
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

6-fluoro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide
CID 166691946
4,6-dichloro-N-[1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 170263682
4,6-dichloro-N-[3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]-1H-indole-2-carboxamide
CID 170263423
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
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
4,6-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 162479128
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
N-[2-[[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 156882320
4,6-dichloro-N-[1-[[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 175458220
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 143139060
2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936323
4-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 170025404

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is 4,6-dichloro-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 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-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)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
The InChIKey is OVKOJIBCMUHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O4/c19-10-4-13(20)12-6-15(24-14(12)5-10)18(28)22-7-16(26)23-11(8-25)3-9-1-2-21-17(9)27/h4-6,8-9,11,24H,1-3,7H2,(H,21,27)(H,22,28)(H,23,26).
What are the key properties of 4,6-dichloro-N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]-1H-indole-2-carboxamide?
4,6-dichloro-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 425.27 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-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 167244126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).