N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide

C12H13F2NO3 — CID 115175825

IUPACN-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
SMILESCOc1cc(F)c(CN(C)C(=O)C(C)=O)cc1F
InChIInChI=1S/C12H13F2NO3/c1-7(16)12(17)15(2)6-8-4-10(14)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3
InChIKeyOGTBXUIHCJQBNC-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.52
Rot. Bonds4

About N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide

N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide (PubChem CID 115175825) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
PubChem CID115175825
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC NameN-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
SMILESCOc1cc(F)c(CN(C)C(=O)C(C)=O)cc1F
InChIInChI=1S/C12H13F2NO3/c1-7(16)12(17)15(2)6-8-4-10(14)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3
InChIKeyOGTBXUIHCJQBNC-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 115262117
[(2,5-difluoro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228148
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
CID 117043406
2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
CID 115151774
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide?
The IUPAC name of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide (CID 115175825) is N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide?
The canonical SMILES for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide is COc1cc(F)c(CN(C)C(=O)C(C)=O)cc1F.
What is the InChIKey of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide?
The InChIKey is OGTBXUIHCJQBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-7(16)12(17)15(2)6-8-4-10(14)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3.
What are the key properties of N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide?
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide has a molecular weight of 257.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).