1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H22FN3O3 — CID 7215734

IUPAC1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3O3/c1-27-18-5-3-2-4-14(18)10-11-22-20(26)23-16-12-19(25)24(13-16)17-8-6-15(21)7-9-17/h2-9,16H,10-13H2,1H3,(H2,22,23,26)/t16-/m1/s1
InChIKeyQYKZKQPVUFCYOL-MRXNPFEDSA-N
MW371.41 g/mol
LogP2.48
Rot. Bonds6

About 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 7215734) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID7215734
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3O3/c1-27-18-5-3-2-4-14(18)10-11-22-20(26)23-16-12-19(25)24(13-16)17-8-6-15(21)7-9-17/h2-9,16H,10-13H2,1H3,(H2,22,23,26)/t16-/m1/s1
InChIKeyQYKZKQPVUFCYOL-MRXNPFEDSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 43970451
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 7549043
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 16819877
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-hydroxypropyl)urea
CID 43970296
1-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547252
1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548162
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-2-hydroxypropyl]urea
CID 7547969

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 7215734) is 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is QYKZKQPVUFCYOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-18-5-3-2-4-14(18)10-11-22-20(26)23-16-12-19(25)24(13-16)17-8-6-15(21)7-9-17/h2-9,16H,10-13H2,1H3,(H2,22,23,26)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 371.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 7215734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).