[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C20H20ClNO4 — CID 7827110

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCc1ccc(C(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-2-14-3-5-15(6-4-14)18(23)13-26-19(24)11-12-22-20(25)16-7-9-17(21)10-8-16/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyCLACFGLEEDPVKD-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds8

About [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827110) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827110
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCc1ccc(C(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClNO4/c1-2-14-3-5-15(6-4-14)18(23)13-26-19(24)11-12-22-20(25)16-7-9-17(21)10-8-16/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyCLACFGLEEDPVKD-UHFFFAOYSA-N
XLogP3.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827856
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 32698206
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827031
undecyl 3-[(4-ethylbenzoyl)amino]propanoate
CID 91714756
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
bis[2-(4-chlorophenyl)-2-oxoethyl] dodecanedioate
CID 3270757
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827110) is [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is CCc1ccc(C(=O)COC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is CLACFGLEEDPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-2-14-3-5-15(6-4-14)18(23)13-26-19(24)11-12-22-20(25)16-7-9-17(21)10-8-16/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 373.84 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).