1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea

C18H18FN3O3 — CID 7215573

IUPAC1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN3O3/c1-25-16-8-3-2-7-15(16)21-18(24)20-13-10-17(23)22(11-13)14-6-4-5-12(19)9-14/h2-9,13H,10-11H2,1H3,(H2,20,21,24)/t13-/m1/s1
InChIKeyDGCNWZPIBUKCLH-CYBMUJFWSA-N
MW343.36 g/mol
LogP2.76
Rot. Bonds4

About 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea

1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 7215573) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID7215573
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FN3O3/c1-25-16-8-3-2-7-15(16)21-18(24)20-13-10-17(23)22(11-13)14-6-4-5-12(19)9-14/h2-9,13H,10-11H2,1H3,(H2,20,21,24)/t13-/m1/s1
InChIKeyDGCNWZPIBUKCLH-CYBMUJFWSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547452
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 7215628
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-(3,4-dimethoxyphenyl)-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547448
1-(2,4-difluorophenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970198
1-(2,5-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547407
1-(2,4-difluorophenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564231
2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 126456615
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 16822262

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea (CID 7215573) is 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is DGCNWZPIBUKCLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-16-8-3-2-7-15(16)21-18(24)20-13-10-17(23)22(11-13)14-6-4-5-12(19)9-14/h2-9,13H,10-11H2,1H3,(H2,20,21,24)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea?
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 343.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 7215573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).