ethyl 2-[benzoyl(chloro)amino]acetate

C11H12ClNO3 — CID 121217750

IUPACethyl 2-[benzoyl(chloro)amino]acetate
SMILESCCOC(=O)CN(Cl)C(=O)c1ccccc1
InChIInChI=1S/C11H12ClNO3/c1-2-16-10(14)8-13(12)11(15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWOBYJMQCSQVECB-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-[benzoyl(chloro)amino]acetate

ethyl 2-[benzoyl(chloro)amino]acetate (PubChem CID 121217750) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is ethyl 2-[benzoyl(chloro)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzoyl(chloro)amino]acetate
PubChem CID121217750
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Nameethyl 2-[benzoyl(chloro)amino]acetate
SMILESCCOC(=O)CN(Cl)C(=O)c1ccccc1
InChIInChI=1S/C11H12ClNO3/c1-2-16-10(14)8-13(12)11(15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWOBYJMQCSQVECB-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 6332799
CID 6332799
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ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
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ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
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ethyl 2-[benzamidomethyl(nitroso)amino]acetate
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ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
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ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
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CID 91175503
ethyl 2-[(2-benzoylcyclohexene-1-carbonyl)-methylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzoyl(chloro)amino]acetate?
The IUPAC name of ethyl 2-[benzoyl(chloro)amino]acetate (CID 121217750) is ethyl 2-[benzoyl(chloro)amino]acetate.
What is the SMILES notation for ethyl 2-[benzoyl(chloro)amino]acetate?
The canonical SMILES for ethyl 2-[benzoyl(chloro)amino]acetate is CCOC(=O)CN(Cl)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[benzoyl(chloro)amino]acetate?
The InChIKey is WOBYJMQCSQVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-2-16-10(14)8-13(12)11(15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-[benzoyl(chloro)amino]acetate?
ethyl 2-[benzoyl(chloro)amino]acetate has a molecular weight of 241.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzoyl(chloro)amino]acetate is sourced from PubChem (CID 121217750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).