1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one

C23H23ClF2N2O4 — CID 112836375

IUPAC1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1=O
InChIInChI=1S/C23H23ClF2N2O4/c1-31-21-4-2-15(24)11-19(21)28-13-14(10-22(28)29)23(30)27-8-6-17(7-9-27)32-20-5-3-16(25)12-18(20)26/h2-5,11-12,14,17H,6-10,13H2,1H3
InChIKeyYQMXVZSDXODGEF-UHFFFAOYSA-N
MW464.90 g/mol
LogP4.05
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one

1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 112836375) has the molecular formula C23H23ClF2N2O4 and a molecular weight of 464.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID112836375
Molecular FormulaC23H23ClF2N2O4
Molecular Weight464.90 g/mol
Exact Mass464.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1=O
InChIInChI=1S/C23H23ClF2N2O4/c1-31-21-4-2-15(24)11-19(21)28-13-14(10-22(28)29)23(30)27-8-6-17(7-9-27)32-20-5-3-16(25)12-18(20)26/h2-5,11-12,14,17H,6-10,13H2,1H3
InChIKeyYQMXVZSDXODGEF-UHFFFAOYSA-N
XLogP4.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 54.05
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
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119518045
1-(5-chloro-2-methoxyphenyl)-4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyrrolidin-2-one
CID 119636314
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
1-(5-chloro-2-methoxyphenyl)-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55330307
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
N-[1-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655234
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120659035
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
1-(5-chloro-2-methoxyphenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 47005186
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one (CID 112836375) is 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(Cl)cc1N1CC(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YQMXVZSDXODGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O4/c1-31-21-4-2-15(24)11-19(21)28-13-14(10-22(28)29)23(30)27-8-6-17(7-9-27)32-20-5-3-16(25)12-18(20)26/h2-5,11-12,14,17H,6-10,13H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 464.90 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 112836375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).