N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide

C11H11ClF2N2O2 — CID 108513680

IUPACN-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
SMILESO=C(NCCCCl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H11ClF2N2O2/c12-5-2-6-15-10(17)11(18)16-9-7(13)3-1-4-8(9)14/h1,3-4H,2,5-6H2,(H,15,17)(H,16,18)
InChIKeyNKMPCUBLPMROSU-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.65
Rot. Bonds4

About N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide

N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide (PubChem CID 108513680) has the molecular formula C11H11ClF2N2O2 and a molecular weight of 276.67 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
PubChem CID108513680
Molecular FormulaC11H11ClF2N2O2
Molecular Weight276.67 g/mol
Exact Mass276.05
IUPAC NameN-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
SMILESO=C(NCCCCl)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H11ClF2N2O2/c12-5-2-6-15-10(17)11(18)16-9-7(13)3-1-4-8(9)14/h1,3-4H,2,5-6H2,(H,15,17)(H,16,18)
InChIKeyNKMPCUBLPMROSU-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372
N'-(2,6-difluorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108522144
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108500285
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
CID 108509469
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide (CID 108513680) is N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide is O=C(NCCCCl)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide?
The InChIKey is NKMPCUBLPMROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O2/c12-5-2-6-15-10(17)11(18)16-9-7(13)3-1-4-8(9)14/h1,3-4H,2,5-6H2,(H,15,17)(H,16,18).
What are the key properties of N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide?
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide has a molecular weight of 276.67 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide is sourced from PubChem (CID 108513680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).