3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide

C12H15F2NO2 — CID 23589518

IUPAC3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(12(16)15(2)17-3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3
InChIKeyUZBLURXCOVFYKS-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.16
Rot. Bonds4

About 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide

3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide (PubChem CID 23589518) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
PubChem CID23589518
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(12(16)15(2)17-3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3
InChIKeyUZBLURXCOVFYKS-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 158445253
CID 158445253
(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 145175354
1-(3,5-difluorophenyl)propan-2-yl N,N-dimethylcarbamate
CID 142678960
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
methyl (2S)-3-(3,5-difluorophenyl)-2-(tritioamino)propanoate
CID 58759908
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
1-(3,5-difluorophenyl)-N-methoxy-N-methylmethanamine
CID 130725547
(2R)-1-(3,5-difluorophenyl)propane-2-sulfonic acid
CID 165179665
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide (CID 23589518) is 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide is CON(C)C(=O)C(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is UZBLURXCOVFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(12(16)15(2)17-3)4-9-5-10(13)7-11(14)6-9/h5-8H,4H2,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide?
3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 243.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 23589518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).