1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one

C20H19ClFN3O2 — CID 167835054

IUPAC1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one
SMILESO=C1CC(c2cccc(NC3CCN(c4ccc(Cl)cc4F)C3=O)c2)CN1
InChIInChI=1S/C20H19ClFN3O2/c21-14-4-5-18(16(22)10-14)25-7-6-17(20(25)27)24-15-3-1-2-12(8-15)13-9-19(26)23-11-13/h1-5,8,10,13,17,24H,6-7,9,11H2,(H,23,26)
InChIKeyXYJHQOWXBORAMI-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one

1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one (PubChem CID 167835054) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one
PubChem CID167835054
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one
SMILESO=C1CC(c2cccc(NC3CCN(c4ccc(Cl)cc4F)C3=O)c2)CN1
InChIInChI=1S/C20H19ClFN3O2/c21-14-4-5-18(16(22)10-14)25-7-6-17(20(25)27)24-15-3-1-2-12(8-15)13-9-19(26)23-11-13/h1-5,8,10,13,17,24H,6-7,9,11H2,(H,23,26)
InChIKeyXYJHQOWXBORAMI-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
CID 166324150
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
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
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
CID 124861225
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
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
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126785620

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one (CID 167835054) is 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one is O=C1CC(c2cccc(NC3CCN(c4ccc(Cl)cc4F)C3=O)c2)CN1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one?
The InChIKey is XYJHQOWXBORAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c21-14-4-5-18(16(22)10-14)25-7-6-17(20(25)27)24-15-3-1-2-12(8-15)13-9-19(26)23-11-13/h1-5,8,10,13,17,24H,6-7,9,11H2,(H,23,26).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one?
1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one has a molecular weight of 387.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[3-(5-oxopyrrolidin-3-yl)anilino]pyrrolidin-2-one is sourced from PubChem (CID 167835054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).