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

C17H14F3N3O2 — CID 7547401

IUPAC1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H14F3N3O2/c18-10-2-1-3-13(6-10)23-9-12(8-16(23)24)22-17(25)21-11-4-5-14(19)15(20)7-11/h1-7,12H,8-9H2,(H2,21,22,25)/t12-/m1/s1
InChIKeyIAANAXXXIUIMBP-GFCCVEGCSA-N
MW349.31 g/mol
LogP3.03
Rot. Bonds3

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

1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7547401) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7547401
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C17H14F3N3O2/c18-10-2-1-3-13(6-10)23-9-12(8-16(23)24)22-17(25)21-11-4-5-14(19)15(20)7-11/h1-7,12H,8-9H2,(H2,21,22,25)/t12-/m1/s1
InChIKeyIAANAXXXIUIMBP-GFCCVEGCSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-(2,5-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547407
1-(3,4-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547448
1-(4-acetylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215584
1-(2,4-difluorophenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970198
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
1-(3-fluorophenyl)-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544332
1-(2,6-dimethylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547436
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 7547401) is 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is IAANAXXXIUIMBP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-10-2-1-3-13(6-10)23-9-12(8-16(23)24)22-17(25)21-11-4-5-14(19)15(20)7-11/h1-7,12H,8-9H2,(H2,21,22,25)/t12-/m1/s1.
What are the key properties of 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 349.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7547401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).