ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate

C11H12ClNO4 — CID 121220788

IUPACethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyHKNVBFDRXPAFQK-UHFFFAOYSA-N
MW257.67 g/mol
LogP0.95
Rot. Bonds4

About ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate

ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate (PubChem CID 121220788) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
PubChem CID121220788
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Nameethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14)
InChIKeyHKNVBFDRXPAFQK-UHFFFAOYSA-N
XLogP0.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095
ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
CID 34256262
4-chloro-N-propan-2-ylbenzamide
CID 24045
ethyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfinylbutanoate
CID 110191688
4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
CID 22761225
ethyl 2-[2-[(4-chlorobenzoyl)amino]propanoyl-methylamino]acetate
CID 171703685
ethyl 3-[(4-chlorobenzoyl)amino]-2-propan-2-ylbut-3-enoate
CID 23267372
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
ethyl (2R)-3-[(4-chlorobenzoyl)hydrazinylidene]-2-ethylbutanoate
CID 129460363

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate (CID 121220788) is ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate is CCOC(=O)C(O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate?
The InChIKey is HKNVBFDRXPAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-2-17-11(16)10(15)13-9(14)7-3-5-8(12)6-4-7/h3-6,10,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate?
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate has a molecular weight of 257.67 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate is sourced from PubChem (CID 121220788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).