N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18F2N2O3 — CID 647182

IUPACN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-11-12(9-18(23)24)19(25)22-17-8-3-13(20)10-16(17)21/h3-8,10,12H,2,9,11H2,1H3,(H,22,25)
InChIKeyUBEVYNFUARKSRM-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.36
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 647182) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID647182
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C19H18F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-11-12(9-18(23)24)19(25)22-17-8-3-13(20)10-16(17)21/h3-8,10,12H,2,9,11H2,1H3,(H,22,25)
InChIKeyUBEVYNFUARKSRM-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sembragiline
CID 10246762
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(3R,4R)-1-Methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenyl]-amide}
CID 46835134
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538
2-methyl-N-(4-phenoxyphenyl)propanamide
CID 874249
5-Oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2741833
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197
N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964350
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propoxyphenyl)-3-pyrrolidinecarboxamide
CID 3154428

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 647182) is N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(F)cc3F)CC2=O)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UBEVYNFUARKSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-2-26-15-6-4-14(5-7-15)23-11-12(9-18(23)24)19(25)22-17-8-3-13(20)10-16(17)21/h3-8,10,12H,2,9,11H2,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 647182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).