2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid

C19H21FN2O4 — CID 46988150

IUPAC2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid
SMILESCCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NCC(=O)O)c1
InChIInChI=1S/C19H21FN2O4/c1-2-22(10-11-26-17-8-6-15(20)7-9-17)19(25)14-4-3-5-16(12-14)21-13-18(23)24/h3-9,12,21H,2,10-11,13H2,1H3,(H,23,24)
InChIKeyAELICBYRGJLLCV-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.86
Rot. Bonds9

About 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid

2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid (PubChem CID 46988150) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid
PubChem CID46988150
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid
SMILESCCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NCC(=O)O)c1
InChIInChI=1S/C19H21FN2O4/c1-2-22(10-11-26-17-8-6-15(20)7-9-17)19(25)14-4-3-5-16(12-14)21-13-18(23)24/h3-9,12,21H,2,10-11,13H2,1H3,(H,23,24)
InChIKeyAELICBYRGJLLCV-UHFFFAOYSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic 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

N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid (CID 46988150) is 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid is CCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NCC(=O)O)c1.
What is the InChIKey of 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid?
The InChIKey is AELICBYRGJLLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-2-22(10-11-26-17-8-6-15(20)7-9-17)19(25)14-4-3-5-16(12-14)21-13-18(23)24/h3-9,12,21H,2,10-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid?
2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid has a molecular weight of 360.39 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl-[2-(4-fluorophenoxy)ethyl]carbamoyl]anilino]acetic acid is sourced from PubChem (CID 46988150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).