[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C20H19ClN2O5 — CID 7878733

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O5/c1-2-18(25)23-16-9-5-13(6-10-16)17(24)12-28-19(26)11-22-20(27)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeyMTMZQGNWQSRBJX-UHFFFAOYSA-N
MW402.83 g/mol
LogP2.84
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7878733) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7878733
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN2O5/c1-2-18(25)23-16-9-5-13(6-10-16)17(24)12-28-19(26)11-22-20(27)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeyMTMZQGNWQSRBJX-UHFFFAOYSA-N
XLogP2.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8853560
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326836
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 7878733) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is MTMZQGNWQSRBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-2-18(25)23-16-9-5-13(6-10-16)17(24)12-28-19(26)11-22-20(27)14-3-7-15(21)8-4-14/h3-10H,2,11-12H2,1H3,(H,22,27)(H,23,25).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 402.83 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7878733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).