[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

C18H17ClN2O4 — CID 8523975

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-15(14)21-17(23)12-25-18(24)11-20-16(22)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,23)
InChIKeySPLSSARENTYSIN-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.18
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8523975) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID8523975
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-15(14)21-17(23)12-25-18(24)11-20-16(22)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,23)
InChIKeySPLSSARENTYSIN-UHFFFAOYSA-N
XLogP2.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7783318
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112997768
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523970
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (CID 8523975) is [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is SPLSSARENTYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-14-8-4-5-9-15(14)21-17(23)12-25-18(24)11-20-16(22)10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,23).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 360.80 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8523975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).