methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate

C14H17FN2O3 — CID 153206429

IUPACmethyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate
SMILESC=CNC(=O)c1ccc(NC(C)(C)C(=O)OC)cc1F
InChIInChI=1S/C14H17FN2O3/c1-5-16-12(18)10-7-6-9(8-11(10)15)17-14(2,3)13(19)20-4/h5-8,17H,1H2,2-4H3,(H,16,18)
InChIKeyWKXHVINQONDDLC-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.06
Rot. Bonds5

About methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate

methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate (PubChem CID 153206429) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate
PubChem CID153206429
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate
SMILESC=CNC(=O)c1ccc(NC(C)(C)C(=O)OC)cc1F
InChIInChI=1S/C14H17FN2O3/c1-5-16-12(18)10-7-6-9(8-11(10)15)17-14(2,3)13(19)20-4/h5-8,17H,1H2,2-4H3,(H,16,18)
InChIKeyWKXHVINQONDDLC-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate 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-(4-acetyl-3-fluoroanilino)-2-methylpropanoic acid
CID 58083478
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
CID 66617902
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
CID 88957064
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
methyl 4-[[1-[4-cyano-3-(trifluoromethyl)anilino]-2-methyl-1-oxopropan-2-yl]amino]-2-fluorobenzoate
CID 155928663
2-amino-N-ethenyl-4-methylbenzamide
CID 143815920
methyl 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanoate
CID 115128289
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
methyl 2-fluoro-4-[2-(methylamino)ethylamino]benzoate
CID 163518462
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate (CID 153206429) is methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate is C=CNC(=O)c1ccc(NC(C)(C)C(=O)OC)cc1F.
What is the InChIKey of methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate?
The InChIKey is WKXHVINQONDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-5-16-12(18)10-7-6-9(8-11(10)15)17-14(2,3)13(19)20-4/h5-8,17H,1H2,2-4H3,(H,16,18).
What are the key properties of methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate?
methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate has a molecular weight of 280.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethenylcarbamoyl)-3-fluoroanilino]-2-methylpropanoate is sourced from PubChem (CID 153206429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).