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

C19H18F2N2O3 — CID 55887495

IUPAC1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C19H18F2N2O3/c1-22(16-5-3-4-6-17(16)26-2)19(25)12-9-18(24)23(11-12)15-8-7-13(20)10-14(15)21/h3-8,10,12H,9,11H2,1-2H3
InChIKeySIUHJDGFWHCIBM-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.99
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55887495) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55887495
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C19H18F2N2O3/c1-22(16-5-3-4-6-17(16)26-2)19(25)12-9-18(24)23(11-12)15-8-7-13(20)10-14(15)21/h3-8,10,12H,9,11H2,1-2H3
InChIKeySIUHJDGFWHCIBM-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46422767
1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55617951
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209447
1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983
1-(2,4-difluorophenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 46404189
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119444324

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 55887495) is 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SIUHJDGFWHCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-22(16-5-3-4-6-17(16)26-2)19(25)12-9-18(24)23(11-12)15-8-7-13(20)10-14(15)21/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55887495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).