1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea

C13H16ClN3O2 — CID 110874676

IUPAC1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O2/c1-9(18)17-7-6-12(8-17)16-13(19)15-11-4-2-10(14)3-5-11/h2-5,12H,6-8H2,1H3,(H2,15,16,19)
InChIKeyUZSPPOXSVNVGPI-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.08
Rot. Bonds2

About 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea

1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea (PubChem CID 110874676) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
PubChem CID110874676
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClN3O2/c1-9(18)17-7-6-12(8-17)16-13(19)15-11-4-2-10(14)3-5-11/h2-5,12H,6-8H2,1H3,(H2,15,16,19)
InChIKeyUZSPPOXSVNVGPI-UHFFFAOYSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
1-[(3R)-1-acetylpyrrolidin-3-yl]-3-(4-chloro-2-pyrrol-1-ylphenyl)urea
CID 97092982
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
1-(1-acetylpiperidin-4-yl)-3-(4-ethylsulfonylphenyl)urea
CID 69090436
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-(1-acetylpyrrolidin-3-yl)-3-(3-bromo-5-fluorophenyl)urea
CID 75381103
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea (CID 110874676) is 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea is CC(=O)N1CCC(NC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea?
The InChIKey is UZSPPOXSVNVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9(18)17-7-6-12(8-17)16-13(19)15-11-4-2-10(14)3-5-11/h2-5,12H,6-8H2,1H3,(H2,15,16,19).
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea?
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea has a molecular weight of 281.74 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 110874676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).