1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C18H17ClFN3O2 — CID 16819851

IUPAC1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1Cl)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17ClFN3O2/c19-16-7-2-1-4-12(16)10-21-18(25)22-14-9-17(24)23(11-14)15-6-3-5-13(20)8-15/h1-8,14H,9-11H2,(H2,21,22,25)
InChIKeyFNFQXLXPOVQNSX-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.08
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 16819851) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID16819851
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1Cl)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H17ClFN3O2/c19-16-7-2-1-4-12(16)10-21-18(25)22-14-9-17(24)23(11-14)15-6-3-5-13(20)8-15/h1-8,14H,9-11H2,(H2,21,22,25)
InChIKeyFNFQXLXPOVQNSX-UHFFFAOYSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 16819851) is 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(NCc1ccccc1Cl)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is FNFQXLXPOVQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c19-16-7-2-1-4-12(16)10-21-18(25)22-14-9-17(24)23(11-14)15-6-3-5-13(20)8-15/h1-8,14H,9-11H2,(H2,21,22,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 361.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 16819851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).