methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate

C13H16FNO4 — CID 112686654

IUPACmethyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COC(C)C)ccc1F
InChIInChI=1S/C13H16FNO4/c1-8(2)19-7-12(16)15-9-4-5-11(14)10(6-9)13(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyYSTGTOLDNDTDRB-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.98
Rot. Bonds5

About methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate

methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate (PubChem CID 112686654) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
PubChem CID112686654
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)COC(C)C)ccc1F
InChIInChI=1S/C13H16FNO4/c1-8(2)19-7-12(16)15-9-4-5-11(14)10(6-9)13(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyYSTGTOLDNDTDRB-UHFFFAOYSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate 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

methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
methyl 5-[(2-cyanoacetyl)amino]-2-fluorobenzoate
CID 168520431
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
4-(4-fluoro-3-methoxycarbonylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496474
methyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-2-fluorobenzoate
CID 34505734
methyl 5-[3-(tert-butylamino)propanoylamino]-2-fluorobenzoate
CID 60849582
methyl 5-[(2-chloro-2-fluoroacetyl)amino]-2-fluorobenzoate
CID 166427679
methyl 2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoate
CID 79286322
methyl 2-fluoro-5-(2-methylbutylamino)benzoate
CID 43715350
methyl 2-fluoro-5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 3691695
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate (CID 112686654) is methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate is COC(=O)c1cc(NC(=O)COC(C)C)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate?
The InChIKey is YSTGTOLDNDTDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8(2)19-7-12(16)15-9-4-5-11(14)10(6-9)13(17)18-3/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate?
methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate has a molecular weight of 269.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(2-propan-2-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 112686654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).