N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide

C9H8F2N2O2 — CID 110478399

IUPACN-(6-amino-2,3-difluorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1c(N)ccc(F)c1F
InChIInChI=1S/C9H8F2N2O2/c1-4(14)9(15)13-8-6(12)3-2-5(10)7(8)11/h2-3H,12H2,1H3,(H,13,15)
InChIKeyHUWNSTSLIXRGIV-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.07
Rot. Bonds2

About N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide

N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide (PubChem CID 110478399) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(6-amino-2,3-difluorophenyl)-2-oxopropanamide
PubChem CID110478399
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC NameN-(6-amino-2,3-difluorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1c(N)ccc(F)c1F
InChIInChI=1S/C9H8F2N2O2/c1-4(14)9(15)13-8-6(12)3-2-5(10)7(8)11/h2-3H,12H2,1H3,(H,13,15)
InChIKeyHUWNSTSLIXRGIV-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-amino-2,3-difluorophenyl)-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

N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
2-[[(E)-but-2-en-2-yl]amino]-3,4-difluorobenzoic acid
CID 144842411
ethyl 4-(6-amino-2,3-difluoroanilino)butanoate
CID 64576159
1-(6-amino-2,3-difluoroanilino)-2-methylbutan-2-ol
CID 65103314
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
N-(2,3,6-trifluorophenyl)carbamoyl chloride
CID 135378921
3,4-difluoro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,2-diamine
CID 79352222
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
2-N-(1-cyclopropylethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532486
3-acetamido-2,4-difluorobenzamide
CID 154632543
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide?
The IUPAC name of N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide (CID 110478399) is N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide.
What is the SMILES notation for N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide?
The canonical SMILES for N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1c(N)ccc(F)c1F.
What is the InChIKey of N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide?
The InChIKey is HUWNSTSLIXRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-4(14)9(15)13-8-6(12)3-2-5(10)7(8)11/h2-3H,12H2,1H3,(H,13,15).
What are the key properties of N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide?
N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide has a molecular weight of 214.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-difluorophenyl)-2-oxopropanamide is sourced from PubChem (CID 110478399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).