1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C17H15ClFN3O2 — CID 18564438

IUPAC1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-14-9-16(23)22(10-14)15-7-3-12(19)4-8-15/h1-8,14H,9-10H2,(H2,20,21,24)
InChIKeyGVOJKHNXPAENSJ-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 18564438) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID18564438
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-14-9-16(23)22(10-14)15-7-3-12(19)4-8-15/h1-8,14H,9-10H2,(H2,20,21,24)
InChIKeyGVOJKHNXPAENSJ-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
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-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 175838324
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-sulfamoylphenyl)urea
CID 16819889
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 18564438) is 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is GVOJKHNXPAENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c18-11-1-5-13(6-2-11)20-17(24)21-14-9-16(23)22(10-14)15-7-3-12(19)4-8-15/h1-8,14H,9-10H2,(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 347.78 g/mol, XLogP of 3.41, 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-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 18564438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).