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

C18H18ClNO4 — CID 8580848

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-15-9-7-13(8-10-15)18(22)24-12-17(21)20-11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyXDCQVOKBCWBWLE-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.21
Rot. Bonds7

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

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 8580848) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
PubChem CID8580848
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-15-9-7-13(8-10-15)18(22)24-12-17(21)20-11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyXDCQVOKBCWBWLE-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 2417667
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate
CID 7959943
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 9197258
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 28561396
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646638
[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 71820592
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2532376
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate (CID 8580848) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is XDCQVOKBCWBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-23-15-9-7-13(8-10-15)18(22)24-12-17(21)20-11-14-5-3-4-6-16(14)19/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 347.80 g/mol, XLogP of 3.21, 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-ethoxybenzoate is sourced from PubChem (CID 8580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).