[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate

C17H16ClNO4 — CID 7574746

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-15-9-3-12(4-10-15)17(21)23-11-16(20)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyHYGXLDOLOQUZSG-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.53
Rot. Bonds6

About [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate

[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 7574746) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
PubChem CID7574746
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-2-22-15-9-3-12(4-10-15)17(21)23-11-16(20)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyHYGXLDOLOQUZSG-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
[2-(4-ethoxyanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 7359100

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate (CID 7574746) is [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is HYGXLDOLOQUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-2-22-15-9-3-12(4-10-15)17(21)23-11-16(20)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate?
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 333.77 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 7574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).