N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide

C18H17Cl2NO5 — CID 71781908

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17Cl2NO5/c1-18(23,11-2-4-15-16(6-11)26-10-25-15)9-21-17(22)8-24-14-5-3-12(19)7-13(14)20/h2-7,23H,8-10H2,1H3,(H,21,22)
InChIKeyNVYVNWSPAIIVAO-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 71781908) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID71781908
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCC(O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17Cl2NO5/c1-18(23,11-2-4-15-16(6-11)26-10-25-15)9-21-17(22)8-24-14-5-3-12(19)7-13(14)20/h2-7,23H,8-10H2,1H3,(H,21,22)
InChIKeyNVYVNWSPAIIVAO-UHFFFAOYSA-N
XLogP3.12
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 95982924
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6143206
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 27370168
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 95982857
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 71781897
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-cyclopentylsulfanylacetamide
CID 71806235
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100699977
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 90497892
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide (CID 71781908) is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide is CC(O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is NVYVNWSPAIIVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-18(23,11-2-4-15-16(6-11)26-10-25-15)9-21-17(22)8-24-14-5-3-12(19)7-13(14)20/h2-7,23H,8-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 398.24 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 71781908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).