1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H18FN3O2 — CID 38169682

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-20-18(24)21-15-3-1-4-16(11-15)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24)
InChIKeyJSCFHJJPZYFENA-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.27
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 38169682) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID38169682
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-20-18(24)21-15-3-1-4-16(11-15)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24)
InChIKeyJSCFHJJPZYFENA-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-[(4-fluorophenyl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38203655
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
1-(2-benzylsulfanylethyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 72845040
1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 47033900
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 38169682) is 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(NCc1ccc(F)cc1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is JSCFHJJPZYFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-8-6-13(7-9-14)12-20-18(24)21-15-3-1-4-16(11-15)22-10-2-5-17(22)23/h1,3-4,6-9,11H,2,5,10,12H2,(H2,20,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 327.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 38169682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).