3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid

C17H16ClNO4 — CID 45418647

IUPAC3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
SMILESO=C(COc1ccc(C(=O)O)cc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H16ClNO4/c18-14-10-13(17(21)22)6-7-15(14)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22)
InChIKeyUHZHSYUHGCOEBD-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.78
Rot. Bonds7

About 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid

3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid (PubChem CID 45418647) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
PubChem CID45418647
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
SMILESO=C(COc1ccc(C(=O)O)cc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H16ClNO4/c18-14-10-13(17(21)22)6-7-15(14)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22)
InChIKeyUHZHSYUHGCOEBD-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic 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-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
3-chloro-4-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 60676405
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid?
The IUPAC name of 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid (CID 45418647) is 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid?
The canonical SMILES for 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid is O=C(COc1ccc(C(=O)O)cc1Cl)NCCc1ccccc1.
What is the InChIKey of 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid?
The InChIKey is UHZHSYUHGCOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-14-10-13(17(21)22)6-7-15(14)23-11-16(20)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,20)(H,21,22).
What are the key properties of 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid?
3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid has a molecular weight of 333.77 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 45418647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).