[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate

C20H20ClNO5 — CID 42967374

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20ClNO5/c1-13-10-16(21)8-9-17(13)27-14(2)20(25)26-12-19(24)22-18(23)11-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyPGZRBNUREZWGTA-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.84
Rot. Bonds7

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 42967374) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID42967374
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20ClNO5/c1-13-10-16(21)8-9-17(13)27-14(2)20(25)26-12-19(24)22-18(23)11-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyPGZRBNUREZWGTA-UHFFFAOYSA-N
XLogP2.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate 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

[2-(2-iodoanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42969953
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 55401174
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872831
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate (CID 42967374) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is PGZRBNUREZWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-13-10-16(21)8-9-17(13)27-14(2)20(25)26-12-19(24)22-18(23)11-15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 389.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 42967374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).