1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea

C16H20ClN3O3 — CID 18564498

IUPAC1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClN3O3/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H2,18,19,22)
InChIKeyONKBFRNXKVIWHD-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.92
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea

1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 18564498) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
PubChem CID18564498
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClN3O3/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H2,18,19,22)
InChIKeyONKBFRNXKVIWHD-UHFFFAOYSA-N
XLogP1.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 7215394
1-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 7244288
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 7215392
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215891
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,2-diethoxyethyl)urea
CID 43970438
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 7216038

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea (CID 18564498) is 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ONKBFRNXKVIWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-11-3-5-13(6-4-11)20-10-12(8-15(20)21)19-16(22)18-9-14-2-1-7-23-14/h3-6,12,14H,1-2,7-10H2,(H2,18,19,22).
What are the key properties of 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea?
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 337.81 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 18564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).