3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea

C17H24FN3O2 — CID 7547670

IUPAC3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-3-9-20(10-4-2)17(23)19-14-11-16(22)21(12-14)15-7-5-13(18)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyOAMDRRPZDRSSNQ-CQSZACIVSA-N
MW321.40 g/mol
LogP2.76
Rot. Bonds6

About 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea

3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea (PubChem CID 7547670) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
PubChem CID7547670
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-3-9-20(10-4-2)17(23)19-14-11-16(22)21(12-14)15-7-5-13(18)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyOAMDRRPZDRSSNQ-CQSZACIVSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7513595
1,1-bis(2-chloroethyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970247
1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
CID 43970107
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 18564419
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063
1-cyclopentyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548061

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The IUPAC name of 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea (CID 7547670) is 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea.
What is the SMILES notation for 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The canonical SMILES for 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea is CCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The InChIKey is OAMDRRPZDRSSNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-3-9-20(10-4-2)17(23)19-14-11-16(22)21(12-14)15-7-5-13(18)6-8-15/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea has a molecular weight of 321.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea is sourced from PubChem (CID 7547670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).