N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide

C15H21FN2O3 — CID 90599312

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
SMILESCOC(C)(CNC(=O)C(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)18-14(20)13(19)17-9-15(3,21-4)11-7-5-6-8-12(11)16/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyAXQHDYFXIVSFRL-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide (PubChem CID 90599312) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
PubChem CID90599312
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
SMILESCOC(C)(CNC(=O)C(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)18-14(20)13(19)17-9-15(3,21-4)11-7-5-6-8-12(11)16/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyAXQHDYFXIVSFRL-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.33
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-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 90599359
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
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]-4-(trifluoromethyl)benzamide
CID 90599146
2-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599072
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide (CID 90599312) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide is COC(C)(CNC(=O)C(=O)NC(C)C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide?
The InChIKey is AXQHDYFXIVSFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)18-14(20)13(19)17-9-15(3,21-4)11-7-5-6-8-12(11)16/h5-8,10H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide has a molecular weight of 296.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 90599312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).