N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide

C18H17F3N2O3 — CID 90599351

IUPACN'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C18H17F3N2O3/c1-18(26-2,12-5-3-4-6-13(12)19)10-22-16(24)17(25)23-11-7-8-14(20)15(21)9-11/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZPPAJVQGAZZRLW-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.72
Rot. Bonds5

About N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide

N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide (PubChem CID 90599351) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
PubChem CID90599351
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C18H17F3N2O3/c1-18(26-2,12-5-3-4-6-13(12)19)10-22-16(24)17(25)23-11-7-8-14(20)15(21)9-11/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZPPAJVQGAZZRLW-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.72
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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90599391
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90599393
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 90599359
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide (CID 90599351) is N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide is COC(C)(CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccccc1F.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The InChIKey is ZPPAJVQGAZZRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-18(26-2,12-5-3-4-6-13(12)19)10-22-16(24)17(25)23-11-7-8-14(20)15(21)9-11/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide is sourced from PubChem (CID 90599351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).