N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H16ClFN2O3 — CID 6484631

IUPACN-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-12-2-7-16(20)15(19)9-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)
InChIKeyROZSHSNHZDCEQP-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.48
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6484631) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6484631
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-12-2-7-16(20)15(19)9-12/h2-7,9,11H,8,10H2,1H3,(H,21,24)
InChIKeyROZSHSNHZDCEQP-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964350
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
N-[2-(4-Chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580158
5-oxo-N-(propan-2-yl)-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 651536
N-(2,3-dichlorophenyl)[5-oxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]carboxamide
CID 4202412
1-(4-chlorophenethyl)-N-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815651
(3R,4R)-N3-(3-chloro-4-methoxyphenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide
CID 11295984
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544
N-(2,4-difluorophenyl)[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carboxamide
CID 647182
N-(2-fluorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 649467
1-(4-ethoxyphenyl)-5-oxo-N-(propan-2-yl)pyrrolidine-3-carboxamide
CID 654257

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6484631) is N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ROZSHSNHZDCEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-25-14-5-3-13(4-6-14)22-10-11(8-17(22)23)18(24)21-12-2-7-16(20)15(19)9-12/h2-7,9,11H,8,10H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6484631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).