1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea

C15H18ClN3O2 — CID 110874683

IUPAC1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H18ClN3O2/c16-11-3-5-12(6-4-11)17-15(21)18-13-7-8-19(9-13)14(20)10-1-2-10/h3-6,10,13H,1-2,7-9H2,(H2,17,18,21)
InChIKeyWXPJONMLEDEYJZ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea (PubChem CID 110874683) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
PubChem CID110874683
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H18ClN3O2/c16-11-3-5-12(6-4-11)17-15(21)18-13-7-8-19(9-13)14(20)10-1-2-10/h3-6,10,13H,1-2,7-9H2,(H2,17,18,21)
InChIKeyWXPJONMLEDEYJZ-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953
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-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 125166653
1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
CID 24898567

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea (CID 110874683) is 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
The InChIKey is WXPJONMLEDEYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-3-5-12(6-4-11)17-15(21)18-13-7-8-19(9-13)14(20)10-1-2-10/h3-6,10,13H,1-2,7-9H2,(H2,17,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea has a molecular weight of 307.78 g/mol, XLogP of 2.47, 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-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 110874683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).