1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea

C14H16ClN3O2 — CID 110747923

IUPAC1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H16ClN3O2/c15-9-1-3-10(4-2-9)16-14(20)17-11-7-13(19)18(8-11)12-5-6-12/h1-4,11-12H,5-8H2,(H2,16,17,20)
InChIKeyMORIQNYTPAFTLF-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea

1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea (PubChem CID 110747923) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
PubChem CID110747923
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H16ClN3O2/c15-9-1-3-10(4-2-9)16-14(20)17-11-7-13(19)18(8-11)12-5-6-12/h1-4,11-12H,5-8H2,(H2,16,17,20)
InChIKeyMORIQNYTPAFTLF-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215951
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
1-(4-chlorophenyl)-3-(6-oxo-1-phenylpiperidin-3-yl)urea
CID 153326080
1-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-3-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]urea
CID 97248254
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea (CID 110747923) is 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea?
The InChIKey is MORIQNYTPAFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-9-1-3-10(4-2-9)16-14(20)17-11-7-13(19)18(8-11)12-5-6-12/h1-4,11-12H,5-8H2,(H2,16,17,20).
What are the key properties of 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea?
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea has a molecular weight of 293.75 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 110747923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).