N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

C20H22F2N2O4 — CID 60543433

IUPACN-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(F)c(OC)c(F)c2)c(OC)c1
InChIInChI=1S/C20H22F2N2O4/c1-26-13-6-7-14(18(11-13)27-2)17-5-4-8-24(17)20(25)23-12-9-15(21)19(28-3)16(22)10-12/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,23,25)
InChIKeyXBRINAVVGWGEFR-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.36
Rot. Bonds5

About N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide

N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 60543433) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID60543433
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(F)c(OC)c(F)c2)c(OC)c1
InChIInChI=1S/C20H22F2N2O4/c1-26-13-6-7-14(18(11-13)27-2)17-5-4-8-24(17)20(25)23-12-9-15(21)19(28-3)16(22)10-12/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,23,25)
InChIKeyXBRINAVVGWGEFR-UHFFFAOYSA-N
XLogP4.36
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95276109
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
CID 60614114

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 60543433) is N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2cc(F)c(OC)c(F)c2)c(OC)c1.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is XBRINAVVGWGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-26-13-6-7-14(18(11-13)27-2)17-5-4-8-24(17)20(25)23-12-9-15(21)19(28-3)16(22)10-12/h6-7,9-11,17H,4-5,8H2,1-3H3,(H,23,25).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide?
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60543433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).