N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22F2N2O4 — CID 46530664

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(OC)c(OC(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H22F2N2O4/c1-3-13-4-7-16(8-5-13)25-12-14(10-19(25)26)20(27)24-15-6-9-17(28-2)18(11-15)29-21(22)23/h4-9,11,14,21H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyZTJAMLYXAQPSRD-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.85
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46530664) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46530664
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(OC)c(OC(F)F)c3)CC2=O)cc1
InChIInChI=1S/C21H22F2N2O4/c1-3-13-4-7-16(8-5-13)25-12-14(10-19(25)26)20(27)24-15-6-9-17(28-2)18(11-15)29-21(22)23/h4-9,11,14,21H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyZTJAMLYXAQPSRD-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42905354
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220393
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46530664) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(OC)c(OC(F)F)c3)CC2=O)cc1.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTJAMLYXAQPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-3-13-4-7-16(8-5-13)25-12-14(10-19(25)26)20(27)24-15-6-9-17(28-2)18(11-15)29-21(22)23/h4-9,11,14,21H,3,10,12H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46530664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).