1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C14H18FN3O2 — CID 108876998

IUPAC1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C14H18FN3O2/c1-9(2)18-8-12(7-13(18)19)17-14(20)16-11-5-3-4-10(15)6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,16,17,20)
InChIKeyKEYWXUJWQWVVJW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 108876998) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID108876998
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C14H18FN3O2/c1-9(2)18-8-12(7-13(18)19)17-14(20)16-11-5-3-4-10(15)6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,16,17,20)
InChIKeyKEYWXUJWQWVVJW-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876863
1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
1-(1,3-benzodioxol-5-yl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876996
1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876978
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-(3-fluorophenyl)-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544332
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 108876998) is 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CC(NC(=O)Nc2cccc(F)c2)CC1=O.
What is the InChIKey of 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is KEYWXUJWQWVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(2)18-8-12(7-13(18)19)17-14(20)16-11-5-3-4-10(15)6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 279.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 108876998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).