5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one

C18H15ClFN3O2 — CID 166324150

IUPAC5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NC3CCN(c4ccc(Cl)cc4F)C3=O)ccc2N1
InChIInChI=1S/C18H15ClFN3O2/c19-11-1-4-16(13(20)9-11)23-6-5-15(18(23)25)21-12-2-3-14-10(7-12)8-17(24)22-14/h1-4,7,9,15,21H,5-6,8H2,(H,22,24)
InChIKeyXLMBBAVBTFSTMP-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.19
Rot. Bonds3

About 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one

5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 166324150) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
PubChem CID166324150
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NC3CCN(c4ccc(Cl)cc4F)C3=O)ccc2N1
InChIInChI=1S/C18H15ClFN3O2/c19-11-1-4-16(13(20)9-11)23-6-5-15(18(23)25)21-12-2-3-14-10(7-12)8-17(24)22-14/h1-4,7,9,15,21H,5-6,8H2,(H,22,24)
InChIKeyXLMBBAVBTFSTMP-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one
CID 167835054
7-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126781084
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620
7-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126787769
7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 99775329
7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
1-(4-chloro-2-fluorophenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64965228
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 115149980
5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one
CID 75377357
(3S)-3-[(1-tert-butylpyrazol-4-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 99822971
3-[(1-tert-butylpyrazol-4-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 86791894

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one (CID 166324150) is 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NC3CCN(c4ccc(Cl)cc4F)C3=O)ccc2N1.
What is the InChIKey of 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is XLMBBAVBTFSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c19-11-1-4-16(13(20)9-11)23-6-5-15(18(23)25)21-12-2-3-14-10(7-12)8-17(24)22-14/h1-4,7,9,15,21H,5-6,8H2,(H,22,24).
What are the key properties of 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one?
5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 359.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 166324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).