(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate

C18H16ClNO5 — CID 55322194

IUPAC(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO5/c1-12(25-15-9-5-8-14(19)10-15)18(23)24-11-16(21)20-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21,22)
InChIKeyWISCPFYESJOGAR-UHFFFAOYSA-N
MW361.78 g/mol
LogP2.61
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate

(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate (PubChem CID 55322194) has the molecular formula C18H16ClNO5 and a molecular weight of 361.78 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate
PubChem CID55322194
Molecular FormulaC18H16ClNO5
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Name(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO5/c1-12(25-15-9-5-8-14(19)10-15)18(23)24-11-16(21)20-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21,22)
InChIKeyWISCPFYESJOGAR-UHFFFAOYSA-N
XLogP2.61
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984840
methyl 2-[[2-[2-(3-chlorophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
CID 46608421
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-phenoxypropanoate
CID 8790635
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868247
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737814
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 46793726
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8559510
(2-benzamido-2-oxoethyl) (2S)-2-phenylsulfanylpropanoate
CID 7806485
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55323709

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate (CID 55322194) is (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate is CC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate?
The InChIKey is WISCPFYESJOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5/c1-12(25-15-9-5-8-14(19)10-15)18(23)24-11-16(21)20-17(22)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21,22).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate?
(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate has a molecular weight of 361.78 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate is sourced from PubChem (CID 55322194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).