1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C20H21F2N3O4 — CID 7546577

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1
InChIInChI=1S/C20H21F2N3O4/c1-2-28-16-9-5-15(6-10-16)25-12-14(11-18(25)26)24-20(27)23-13-3-7-17(8-4-13)29-19(21)22/h3-10,14,19H,2,11-12H2,1H3,(H2,23,24,27)/t14-/m0/s1
InChIKeyZDZLQKPBGHDJLW-AWEZNQCLSA-N
MW405.40 g/mol
LogP3.61
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7546577) has the molecular formula C20H21F2N3O4 and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7546577
Molecular FormulaC20H21F2N3O4
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1
InChIInChI=1S/C20H21F2N3O4/c1-2-28-16-9-5-15(6-10-16)25-12-14(11-18(25)26)24-20(27)23-13-3-7-17(8-4-13)29-19(21)22/h3-10,14,19H,2,11-12H2,1H3,(H2,23,24,27)/t14-/m0/s1
InChIKeyZDZLQKPBGHDJLW-AWEZNQCLSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215443
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methylphenyl)urea
CID 7546263
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7545857
1-[(2S)-butan-2-yl]-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545865
1-(2,4-difluorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564323
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-(2,3-dimethylphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546445
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
1-(2,2-dimethoxyethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545984

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7546577) is 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is ZDZLQKPBGHDJLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21F2N3O4/c1-2-28-16-9-5-15(6-10-16)25-12-14(11-18(25)26)24-20(27)23-13-3-7-17(8-4-13)29-19(21)22/h3-10,14,19H,2,11-12H2,1H3,(H2,23,24,27)/t14-/m0/s1.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 405.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7546577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).