2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate

C19H20ClNO5 — CID 7884594

IUPAC2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO5/c1-2-24-16-7-3-14(4-8-16)19(23)21-13-18(22)26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,23)
InChIKeyGNXLQEAMLPEYPX-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.09
Rot. Bonds9

About 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate

2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884594) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884594
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO5/c1-2-24-16-7-3-14(4-8-16)19(23)21-13-18(22)26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,23)
InChIKeyGNXLQEAMLPEYPX-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884968
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884594) is 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is GNXLQEAMLPEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-2-24-16-7-3-14(4-8-16)19(23)21-13-18(22)26-12-11-25-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 377.82 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).