2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide

C24H21ClN2O5 — CID 24578747

IUPAC2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H21ClN2O5/c1-15(16-7-9-21-22(11-16)32-14-31-21)26-23(28)13-30-20-10-8-17(25)12-19(20)24(29)27-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyPSKWDKBDSYSOQM-UHFFFAOYSA-N
MW452.89 g/mol
LogP4.58
Rot. Bonds7

About 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide

2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide (PubChem CID 24578747) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
PubChem CID24578747
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H21ClN2O5/c1-15(16-7-9-21-22(11-16)32-14-31-21)26-23(28)13-30-20-10-8-17(25)12-19(20)24(29)27-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyPSKWDKBDSYSOQM-UHFFFAOYSA-N
XLogP4.58
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
5-chloro-2-[2-[1-(furan-2-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578790
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 18133884
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775944
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133453
[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554668
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18143447
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 16523264
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide?
The IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide (CID 24578747) is 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide?
The canonical SMILES for 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide is CC(NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide?
The InChIKey is PSKWDKBDSYSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-15(16-7-9-21-22(11-16)32-14-31-21)26-23(28)13-30-20-10-8-17(25)12-19(20)24(29)27-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide?
2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide has a molecular weight of 452.89 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethoxy]-5-chloro-N-phenylbenzamide is sourced from PubChem (CID 24578747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).