N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide

C22H24Cl2N4O5 — CID 27246590

IUPACN-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N4O5/c1-2-7-28(12-20(29)26-17-5-3-14(23)10-16(17)24)13-21(30)27-22(31)25-15-4-6-18-19(11-15)33-9-8-32-18/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,26,29)(H2,25,27,30,31)
InChIKeyISNZKRNPPLOEQQ-UHFFFAOYSA-N
MW495.36 g/mol
LogP3.76
Rot. Bonds8

About N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide

N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 27246590) has the molecular formula C22H24Cl2N4O5 and a molecular weight of 495.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
PubChem CID27246590
Molecular FormulaC22H24Cl2N4O5
Molecular Weight495.36 g/mol
Exact Mass494.11
IUPAC NameN-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N4O5/c1-2-7-28(12-20(29)26-17-5-3-14(23)10-16(17)24)13-21(30)27-22(31)25-15-4-6-18-19(11-15)33-9-8-32-18/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,26,29)(H2,25,27,30,31)
InChIKeyISNZKRNPPLOEQQ-UHFFFAOYSA-N
XLogP3.76
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.36
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 4824789
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
N-(2,4-dichlorophenyl)-2-[(2-hydroxy-3-propan-2-yloxypropyl)-propylamino]acetamide
CID 78831944
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 27219022
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide (CID 27246590) is N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is ISNZKRNPPLOEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O5/c1-2-7-28(12-20(29)26-17-5-3-14(23)10-16(17)24)13-21(30)27-22(31)25-15-4-6-18-19(11-15)33-9-8-32-18/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,26,29)(H2,25,27,30,31).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide?
N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 495.36 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 27246590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).