2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide

C17H14ClN3O6 — CID 27266869

IUPAC2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14ClN3O6/c18-9-1-3-12(11(5-9)16(19)23)25-7-15(22)21-17(24)20-10-2-4-13-14(6-10)27-8-26-13/h1-6H,7-8H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyDUYLMBBIYRDDPA-UHFFFAOYSA-N
MW391.77 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide

2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide (PubChem CID 27266869) has the molecular formula C17H14ClN3O6 and a molecular weight of 391.77 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide
PubChem CID27266869
Molecular FormulaC17H14ClN3O6
Molecular Weight391.77 g/mol
Exact Mass391.06
IUPAC Name2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14ClN3O6/c18-9-1-3-12(11(5-9)16(19)23)25-7-15(22)21-17(24)20-10-2-4-13-14(6-10)27-8-26-13/h1-6H,7-8H2,(H2,19,23)(H2,20,21,22,24)
InChIKeyDUYLMBBIYRDDPA-UHFFFAOYSA-N
XLogP1.89
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.77
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4826482
2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 2703879
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 39411957
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2571071
N-(1,3-benzodioxol-5-yl)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]acetamide
CID 110615456
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24506838
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-2-methoxybenzoate
CID 50929778
1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea
CID 17375539
[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18099716
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide (CID 27266869) is 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide?
The InChIKey is DUYLMBBIYRDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O6/c18-9-1-3-12(11(5-9)16(19)23)25-7-15(22)21-17(24)20-10-2-4-13-14(6-10)27-8-26-13/h1-6H,7-8H2,(H2,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide?
2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide has a molecular weight of 391.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethoxy]-5-chlorobenzamide is sourced from PubChem (CID 27266869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).