2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid

C12H14FNO5 — CID 153384076

IUPAC2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid
SMILESCCOC(=O)Nc1ccc(F)c(OCC)c1C(=O)O
InChIInChI=1S/C12H14FNO5/c1-3-18-10-7(13)5-6-8(9(10)11(15)16)14-12(17)19-4-2/h5-6H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMBJYOLCODZBDIB-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.49
Rot. Bonds5

About 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid

2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid (PubChem CID 153384076) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid
PubChem CID153384076
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid
SMILESCCOC(=O)Nc1ccc(F)c(OCC)c1C(=O)O
InChIInChI=1S/C12H14FNO5/c1-3-18-10-7(13)5-6-8(9(10)11(15)16)14-12(17)19-4-2/h5-6H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMBJYOLCODZBDIB-UHFFFAOYSA-N
XLogP2.49
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid 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

3-(1-aminoethyl)-6-(ethoxycarbonylamino)-2-methylbenzoic acid
CID 15283185
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054
[2-(ethoxycarbonylamino)-6-fluorophenyl] butanoate
CID 175075104
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
3-acetamido-2-ethoxycarbonyl-6-methylbenzoic acid
CID 66793341
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-(4-tert-butyl-2-fluoro-3-methylphenyl)carbamate
CID 23069482
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid?
The IUPAC name of 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid (CID 153384076) is 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid?
The canonical SMILES for 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid is CCOC(=O)Nc1ccc(F)c(OCC)c1C(=O)O.
What is the InChIKey of 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid?
The InChIKey is MBJYOLCODZBDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-3-18-10-7(13)5-6-8(9(10)11(15)16)14-12(17)19-4-2/h5-6H,3-4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid?
2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid has a molecular weight of 271.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(ethoxycarbonylamino)-3-fluorobenzoic acid is sourced from PubChem (CID 153384076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).