[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate

C23H20ClNO5 — CID 2119210

IUPAC[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H20ClNO5/c1-2-28-20-11-7-6-10-18(20)23(27)29-15-22(26)25-19-14-16(24)12-13-21(19)30-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyMLYOBWPUGSNSOV-UHFFFAOYSA-N
MW425.87 g/mol
LogP5.33
Rot. Bonds8

About [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate

[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 2119210) has the molecular formula C23H20ClNO5 and a molecular weight of 425.87 g/mol. Its IUPAC name is [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID2119210
Molecular FormulaC23H20ClNO5
Molecular Weight425.87 g/mol
Exact Mass425.10
IUPAC Name[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H20ClNO5/c1-2-28-20-11-7-6-10-18(20)23(27)29-15-22(26)25-19-14-16(24)12-13-21(19)30-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyMLYOBWPUGSNSOV-UHFFFAOYSA-N
XLogP5.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-(phenylcarbonyl)phenoxy)-N-phenylacetamide
CID 465669
2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one
CID 76619
N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 2897418
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
N-(3-chloro-4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
CID 887096
[2-(3-Chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2410760
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429712
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646379
N-(2-methoxyphenyl)-2-phenoxybenzamide
CID 3699930
Methyl 2-{4-[(3-chloropropanoyl)amino]phenoxy}benzenecarboxylate
CID 3741737
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 5133366
2-[(4-Chlorobenzoyl)amino]phenyl 4-chlorobenzoate
CID 1375607

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate (CID 2119210) is [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is MLYOBWPUGSNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5/c1-2-28-20-11-7-6-10-18(20)23(27)29-15-22(26)25-19-14-16(24)12-13-21(19)30-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,25,26).
What are the key properties of [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 425.87 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 2119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).