4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid

C11H13FN2O3 — CID 63187790

IUPAC4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
SMILESCCNCC(=O)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O3/c1-2-13-6-10(15)14-9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyLPNSPNHFNXBSSX-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.07
Rot. Bonds5

About 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid

4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid (PubChem CID 63187790) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
PubChem CID63187790
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid
SMILESCCNCC(=O)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O3/c1-2-13-6-10(15)14-9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyLPNSPNHFNXBSSX-UHFFFAOYSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(ethylamino)acetyl]amino]-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

4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-[3-(ethylamino)propylcarbamoylamino]-3-fluorobenzoic acid
CID 63189848
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
3-fluoro-4-(3-methylsulfanylpropanoylamino)benzoic acid
CID 63190269
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
3-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 63188229
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
4-[[(2S)-2-aminobutanoyl]amino]-3-fluorobenzoic acid
CID 79023474
4-[[2-(4-bromophenyl)acetyl]amino]-3-fluorobenzoic acid
CID 63189951

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid (CID 63187790) is 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid is CCNCC(=O)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid?
The InChIKey is LPNSPNHFNXBSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-13-6-10(15)14-9-4-3-7(11(16)17)5-8(9)12/h3-5,13H,2,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid?
4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)acetyl]amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63187790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).