N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22F2N2O4 — CID 55654312

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCC(O)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C21H22F2N2O4/c1-12-3-6-19(29-2)17(7-12)25-11-13(8-20(25)27)21(28)24-10-18(26)15-5-4-14(22)9-16(15)23/h3-7,9,13,18,26H,8,10-11H2,1-2H3,(H,24,28)
InChIKeyMNFYVOJNUJVNRZ-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55654312) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55654312
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCC(O)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C21H22F2N2O4/c1-12-3-6-19(29-2)17(7-12)25-11-13(8-20(25)27)21(28)24-10-18(26)15-5-4-14(22)9-16(15)23/h3-7,9,13,18,26H,8,10-11H2,1-2H3,(H,24,28)
InChIKeyMNFYVOJNUJVNRZ-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866862
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
N-(2-amino-2-phenylethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119528407
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55587450
1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55654312) is N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)NCC(O)c2ccc(F)cc2F)CC1=O.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNFYVOJNUJVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-12-3-6-19(29-2)17(7-12)25-11-13(8-20(25)27)21(28)24-10-18(26)15-5-4-14(22)9-16(15)23/h3-7,9,13,18,26H,8,10-11H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55654312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).