N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

C18H22F2N4O4 — CID 134795458

IUPACN-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N3CCC(C(=O)NCC(F)F)C3)NC2=O)cc1
InChIInChI=1S/C18H22F2N4O4/c1-28-13-4-2-12(3-5-13)24-10-14(22-18(24)27)17(26)23-7-6-11(9-23)16(25)21-8-15(19)20/h2-5,11,14-15H,6-10H2,1H3,(H,21,25)(H,22,27)
InChIKeyWWHCIELHCWRLJK-UHFFFAOYSA-N
MW396.39 g/mol
LogP0.82
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 134795458) has the molecular formula C18H22F2N4O4 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID134795458
Molecular FormulaC18H22F2N4O4
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC NameN-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N3CCC(C(=O)NCC(F)F)C3)NC2=O)cc1
InChIInChI=1S/C18H22F2N4O4/c1-28-13-4-2-12(3-5-13)24-10-14(22-18(24)27)17(26)23-7-6-11(9-23)16(25)21-8-15(19)20/h2-5,11,14-15H,6-10H2,1H3,(H,21,25)(H,22,27)
InChIKeyWWHCIELHCWRLJK-UHFFFAOYSA-N
XLogP0.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 134793483
4-[3-(4-benzylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)imidazolidin-2-one
CID 134791901
1-(4-methoxyphenyl)-N-methyl-2-oxoimidazolidine-4-carboxamide
CID 134795636
1-[1-(3-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 134793850
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 134799499
N-[2-(4-methoxyphenyl)ethyl]-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 39353527
1-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 42655508
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
(3R)-1-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39338037
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 55364403
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide (CID 134795458) is N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)N3CCC(C(=O)NCC(F)F)C3)NC2=O)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is WWHCIELHCWRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O4/c1-28-13-4-2-12(3-5-13)24-10-14(22-18(24)27)17(26)23-7-6-11(9-23)16(25)21-8-15(19)20/h2-5,11,14-15H,6-10H2,1H3,(H,21,25)(H,22,27).
What are the key properties of N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[1-(4-methoxyphenyl)-2-oxoimidazolidine-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134795458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).