[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C17H15Cl2NO3 — CID 7879449

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-11(14-4-2-3-5-15(14)19)23-16(21)10-20-17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyHIRKSUFEJVYJNG-NSHDSACASA-N
MW352.22 g/mol
LogP4.03
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7879449) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7879449
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-11(14-4-2-3-5-15(14)19)23-16(21)10-20-17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyHIRKSUFEJVYJNG-NSHDSACASA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881788
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899184
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(1S)-1-(2-chlorophenyl)ethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190987
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
[(1R)-1-(2-chlorophenyl)ethyl] butanoate
CID 141384028
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878949
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 7879449) is [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is HIRKSUFEJVYJNG-NSHDSACASA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-11(14-4-2-3-5-15(14)19)23-16(21)10-20-17(22)12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 352.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7879449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).