[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H16ClNO3 — CID 2080167

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H16ClNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyXTYFXHBSHMCTTE-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.74
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2080167) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2080167
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H16ClNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyXTYFXHBSHMCTTE-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570012
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608442
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2450536
[2-(benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613260
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2080167) is [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is XTYFXHBSHMCTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 317.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2080167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).