N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide

C20H20Cl2FN3O2 — CID 46199765

IUPACN'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C20H20Cl2FN3O2/c21-14-5-3-13(4-6-14)18(26-9-1-2-10-26)12-24-19(27)20(28)25-15-7-8-16(22)17(23)11-15/h3-8,11,18H,1-2,9-10,12H2,(H,24,27)(H,25,28)
InChIKeyAFDBDOJIONZGFY-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.02
Rot. Bonds5

About N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide (PubChem CID 46199765) has the molecular formula C20H20Cl2FN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide
PubChem CID46199765
Molecular FormulaC20H20Cl2FN3O2
Molecular Weight424.30 g/mol
Exact Mass423.09
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C20H20Cl2FN3O2/c21-14-5-3-13(4-6-14)18(26-9-1-2-10-26)12-24-19(27)20(28)25-15-7-8-16(22)17(23)11-15/h3-8,11,18H,1-2,9-10,12H2,(H,24,27)(H,25,28)
InChIKeyAFDBDOJIONZGFY-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]oxamide
CID 41398259
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948047
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948045
N'-(3-chloro-4-methylphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30632372
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 51640961
N'-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631458
N'-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16830345
N'-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932466
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948069
N'-(2,5-difluorophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]oxamide
CID 7192461
N'-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
CID 166232426

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide (CID 46199765) is N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCCC1)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide?
The InChIKey is AFDBDOJIONZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3O2/c21-14-5-3-13(4-6-14)18(26-9-1-2-10-26)12-24-19(27)20(28)25-15-7-8-16(22)17(23)11-15/h3-8,11,18H,1-2,9-10,12H2,(H,24,27)(H,25,28).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide has a molecular weight of 424.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide is sourced from PubChem (CID 46199765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).