1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea

C21H24FN3O2 — CID 7546779

IUPAC1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-15(2)24(13-16-7-4-3-5-8-16)21(27)23-18-12-20(26)25(14-18)19-10-6-9-17(22)11-19/h3-11,15,18H,12-14H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyLAUOCRHVNCRUNT-GOSISDBHSA-N
MW369.44 g/mol
LogP3.55
Rot. Bonds5

About 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea

1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea (PubChem CID 7546779) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
PubChem CID7546779
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-15(2)24(13-16-7-4-3-5-8-16)21(27)23-18-12-20(26)25(14-18)19-10-6-9-17(22)11-19/h3-11,15,18H,12-14H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyLAUOCRHVNCRUNT-GOSISDBHSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 7546959
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
1-benzyl-1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546791
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
CID 43970107
1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7547284
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea (CID 7546779) is 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea?
The InChIKey is LAUOCRHVNCRUNT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15(2)24(13-16-7-4-3-5-8-16)21(27)23-18-12-20(26)25(14-18)19-10-6-9-17(22)11-19/h3-11,15,18H,12-14H2,1-2H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea?
1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea has a molecular weight of 369.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea is sourced from PubChem (CID 7546779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).