N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide

C10H9F2NO2 — CID 115175463

IUPACN-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-6(14)10(15)13(2)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3
InChIKeyGWFBJBHRFAHUJO-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.52
Rot. Bonds2

About N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide

N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide (PubChem CID 115175463) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
PubChem CID115175463
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC NameN-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-6(14)10(15)13(2)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3
InChIKeyGWFBJBHRFAHUJO-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-difluorophenyl)-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

1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline
CID 146522190
4-[acetyl(methyl)amino]-2-fluorophenolate
CID 154609542
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
CID 75385054
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
N-(3,4-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 115159889

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide (CID 115175463) is N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide is CC(=O)C(=O)N(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide?
The InChIKey is GWFBJBHRFAHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-6(14)10(15)13(2)7-3-4-8(11)9(12)5-7/h3-5H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide?
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide has a molecular weight of 213.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).