[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate

C22H18ClNO4 — CID 2417667

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-20-9-5-4-6-17(20)14-24-21(25)15-27-22(26)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,24,25)
InChIKeyHYXBLPVEVYSDOS-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.61
Rot. Bonds7

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate (PubChem CID 2417667) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
PubChem CID2417667
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
SMILESO=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H18ClNO4/c23-20-9-5-4-6-17(20)14-24-21(25)15-27-22(26)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,24,25)
InChIKeyHYXBLPVEVYSDOS-UHFFFAOYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580848
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate
CID 7959943
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646638
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2532376
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009322
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 18288950
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915819
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2437348
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate (CID 2417667) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate is O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate?
The InChIKey is HYXBLPVEVYSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-20-9-5-4-6-17(20)14-24-21(25)15-27-22(26)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H,24,25).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate has a molecular weight of 395.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate is sourced from PubChem (CID 2417667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).