2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide

C12H15FN2O2 — CID 88957064

IUPAC2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
SMILESCNC(=O)c1ccc(NC(C)(C)C=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-12(2,7-16)15-8-4-5-9(10(13)6-8)11(17)14-3/h4-7,15H,1-3H3,(H,14,17)
InChIKeyXAUFAUIVIBPSCI-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.57
Rot. Bonds4

About 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide

2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide (PubChem CID 88957064) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
PubChem CID88957064
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
SMILESCNC(=O)c1ccc(NC(C)(C)C=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-12(2,7-16)15-8-4-5-9(10(13)6-8)11(17)14-3/h4-7,15H,1-3H3,(H,14,17)
InChIKeyXAUFAUIVIBPSCI-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide 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-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
CID 153370073
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
2-(4-acetyl-3-fluoroanilino)-2-methylpropanoic acid
CID 58083478
2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide
CID 170173664
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
CID 66617902
methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate
CID 153206429
2-fluoro-4-[(1-isocyanocyclopentyl)amino]-N-methylbenzamide
CID 123687017
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
CID 118398490
3-[3-fluoro-4-(methylcarbamoyl)phenyl]-2,2-dimethylpropanoic acid
CID 158706666
acetic acid;4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-(2-isocyanopropan-2-ylamino)-N-methylbenzamide;propan-2-one;trimethylsilylformonitrile
CID 158405960
methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
CID 118213844
2-fluoro-N-methyl-4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]benzamide
CID 165403872

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide (CID 88957064) is 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide is CNC(=O)c1ccc(NC(C)(C)C=O)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide?
The InChIKey is XAUFAUIVIBPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-12(2,7-16)15-8-4-5-9(10(13)6-8)11(17)14-3/h4-7,15H,1-3H3,(H,14,17).
What are the key properties of 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide?
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide has a molecular weight of 238.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide is sourced from PubChem (CID 88957064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).