2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate

C11H11Cl2NO3 — CID 7038818

IUPAC2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCCCl
InChIInChI=1S/C11H11Cl2NO3/c12-5-6-17-10(15)7-14-11(16)8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16)
InChIKeyHKFXVVNLRUHGGV-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.85
Rot. Bonds5

About 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate

2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7038818) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7038818
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCCCl
InChIInChI=1S/C11H11Cl2NO3/c12-5-6-17-10(15)7-14-11(16)8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16)
InChIKeyHKFXVVNLRUHGGV-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 4687610
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878582
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate (CID 7038818) is 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCCCl.
What is the InChIKey of 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is HKFXVVNLRUHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c12-5-6-17-10(15)7-14-11(16)8-1-3-9(13)4-2-8/h1-4H,5-7H2,(H,14,16).
What are the key properties of 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate?
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 276.12 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7038818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).