N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27F2N3O3 — CID 60598671

IUPACN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C23H27F2N3O3/c1-26(2)10-11-27(14-16-4-5-18(24)13-21(16)25)23(30)17-12-22(29)28(15-17)19-6-8-20(31-3)9-7-19/h4-9,13,17H,10-12,14-15H2,1-3H3
InChIKeyPIRQQUAAWLUUSI-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.92
Rot. Bonds8

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

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60598671) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60598671
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)CC2=O)cc1
InChIInChI=1S/C23H27F2N3O3/c1-26(2)10-11-27(14-16-4-5-18(24)13-21(16)25)23(30)17-12-22(29)28(15-17)19-6-8-20(31-3)9-7-19/h4-9,13,17H,10-12,14-15H2,1-3H3
InChIKeyPIRQQUAAWLUUSI-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 112836587
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43048889
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632538
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
N-[(4-cyanophenyl)methyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134004309
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 60598671) is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)N(CCN(C)C)Cc3ccc(F)cc3F)CC2=O)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PIRQQUAAWLUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-26(2)10-11-27(14-16-4-5-18(24)13-21(16)25)23(30)17-12-22(29)28(15-17)19-6-8-20(31-3)9-7-19/h4-9,13,17H,10-12,14-15H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60598671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).