1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C19H19F2N3O3 — CID 18564323

IUPAC1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C19H19F2N3O3/c1-2-27-15-6-4-14(5-7-15)24-11-13(10-18(24)25)22-19(26)23-17-8-3-12(20)9-16(17)21/h3-9,13H,2,10-11H2,1H3,(H2,22,23,26)
InChIKeyCZAAOEWJBKAKAT-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 18564323) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID18564323
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C19H19F2N3O3/c1-2-27-15-6-4-14(5-7-15)24-11-13(10-18(24)25)22-19(26)23-17-8-3-12(20)9-16(17)21/h3-9,13H,2,10-11H2,1H3,(H2,22,23,26)
InChIKeyCZAAOEWJBKAKAT-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564322
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480
1-(2,4-difluorophenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564231
1-(2,4-difluorophenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970198
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7546128
1-(2,3-dimethylphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546445
1-(2,3-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970048
1-(2-ethoxyphenyl)-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564371
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methylphenyl)urea
CID 7546263
1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546577
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 18564323) is 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is CCOc1ccc(N2CC(NC(=O)Nc3ccc(F)cc3F)CC2=O)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is CZAAOEWJBKAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-2-27-15-6-4-14(5-7-15)24-11-13(10-18(24)25)22-19(26)23-17-8-3-12(20)9-16(17)21/h3-9,13H,2,10-11H2,1H3,(H2,22,23,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 375.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 18564323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).