2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate

C19H20ClNO5 — CID 19171776

IUPAC2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO5/c1-2-24-11-12-25-19(23)14-3-7-16(8-4-14)21-18(22)13-26-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyKPNUJXLHMURKLJ-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.55
Rot. Bonds9

About 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate

2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate (PubChem CID 19171776) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
PubChem CID19171776
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO5/c1-2-24-11-12-25-19(23)14-3-7-16(8-4-14)21-18(22)13-26-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyKPNUJXLHMURKLJ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
propyl 4-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 4632527
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 7185050
propyl 4-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927799
2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate (CID 19171776) is 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate is CCOCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
The InChIKey is KPNUJXLHMURKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-2-24-11-12-25-19(23)14-3-7-16(8-4-14)21-18(22)13-26-17-9-5-15(20)6-10-17/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate?
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate has a molecular weight of 377.82 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).