[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate

C19H19ClN2O5 — CID 8868039

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12(27-17-9-3-14(20)4-10-17)19(25)26-11-18(24)22-16-7-5-15(6-8-16)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeySPMYMKWIELYWAD-LBPRGKRZSA-N
MW390.82 g/mol
LogP3.25
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate

[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate (PubChem CID 8868039) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
PubChem CID8868039
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12(27-17-9-3-14(20)4-10-17)19(25)26-11-18(24)22-16-7-5-15(6-8-16)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeySPMYMKWIELYWAD-LBPRGKRZSA-N
XLogP3.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate with MolForge

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Related Compounds

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867019
[2-(3-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867150
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865297
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133431
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 23995591
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate (CID 8868039) is [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
The InChIKey is SPMYMKWIELYWAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12(27-17-9-3-14(20)4-10-17)19(25)26-11-18(24)22-16-7-5-15(6-8-16)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate has a molecular weight of 390.82 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 8868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).