N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

C15H19ClFN3O2 — CID 46198989

IUPACN'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyTWOBTASCXZBUQW-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.02
Rot. Bonds4

About N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 46198989) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
PubChem CID46198989
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyTWOBTASCXZBUQW-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Iprodione
CID 37517
Nbd-556
CID 1570601
2,4-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,2,6,6-Pentamethylpiperidin-4-Yl)ethanediamide
CID 46200212
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
1-(4-Chlorophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 22430335
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
2-Imidazolidinone, 1-(p-chlorophenyl)-
CID 26451
Clodacaine
CID 58616
N-(3-chlorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 558417
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide (CID 46198989) is N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is CCN1CCCC1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is TWOBTASCXZBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-10-5-6-12(16)13(17)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 327.79 g/mol, XLogP of 2.02, 4 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-[(1-ethylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 46198989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).