1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

C19H20FN3O3 — CID 71838878

IUPAC1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(NC(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)22-17-11-12-23(18(17)24)15-7-3-13(20)4-8-15/h3-10,17H,2,11-12H2,1H3,(H2,21,22,25)
InChIKeyAGBUBXCPEXJKBY-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea

1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 71838878) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID71838878
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(NC(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)22-17-11-12-23(18(17)24)15-7-3-13(20)4-8-15/h3-10,17H,2,11-12H2,1H3,(H2,21,22,25)
InChIKeyAGBUBXCPEXJKBY-UHFFFAOYSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 154839202
1-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 40913019
1-(4-ethoxyphenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920085
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 71839103
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
1-[(3R)-1-[4-(4-fluoro-2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227181
methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
CID 10451017

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea (CID 71838878) is 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea is CCOc1ccc(NC(=O)NC2CCN(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is AGBUBXCPEXJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-26-16-9-5-14(6-10-16)21-19(25)22-17-11-12-23(18(17)24)15-7-3-13(20)4-8-15/h3-10,17H,2,11-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea?
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 357.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 71838878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).