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

C19H20FN3O2 — CID 7548162

IUPAC1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c1-2-13-5-3-4-6-17(13)22-19(25)21-15-11-18(24)23(12-15)16-9-7-14(20)8-10-16/h3-10,15H,2,11-12H2,1H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyTYQADKRVCOELIH-OAHLLOKOSA-N
MW341.39 g/mol
LogP3.32
Rot. Bonds4

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

1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7548162) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7548162
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c1-2-13-5-3-4-6-17(13)22-19(25)21-15-11-18(24)23(12-15)16-9-7-14(20)8-10-16/h3-10,15H,2,11-12H2,1H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyTYQADKRVCOELIH-OAHLLOKOSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 16819877
1-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
1-(4-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513855
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7548160
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 7215734
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564323

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 7548162) is 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is CCc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is TYQADKRVCOELIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-13-5-3-4-6-17(13)22-19(25)21-15-11-18(24)23(12-15)16-9-7-14(20)8-10-16/h3-10,15H,2,11-12H2,1H3,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 341.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7548162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).