2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide

C16H13Cl2NO4 — CID 45147837

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO4/c1-9(16(20)19-10-2-4-12(17)13(18)6-10)23-11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLSJOVPIGIWCRSL-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.13
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide

2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 45147837) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
PubChem CID45147837
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2NO4/c1-9(16(20)19-10-2-4-12(17)13(18)6-10)23-11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyLSJOVPIGIWCRSL-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 42897913
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670550
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide (CID 45147837) is 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide is CC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is LSJOVPIGIWCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c1-9(16(20)19-10-2-4-12(17)13(18)6-10)23-11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 354.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 45147837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).