N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide

C19H13F2NO4 — CID 7860183

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H13F2NO4/c20-19(21)25-16-9-8-13(10-17(16)26-19)22-18(23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,23)
InChIKeyNISNSLKVNLVNPI-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.18
Rot. Bonds4

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide (PubChem CID 7860183) has the molecular formula C19H13F2NO4 and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide
PubChem CID7860183
Molecular FormulaC19H13F2NO4
Molecular Weight357.31 g/mol
Exact Mass357.08
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H13F2NO4/c20-19(21)25-16-9-8-13(10-17(16)26-19)22-18(23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,23)
InChIKeyNISNSLKVNLVNPI-UHFFFAOYSA-N
XLogP4.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697986
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484674
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 7751375
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46688017
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide (CID 7860183) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide?
The InChIKey is NISNSLKVNLVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO4/c20-19(21)25-16-9-8-13(10-17(16)26-19)22-18(23)11-24-15-7-3-5-12-4-1-2-6-14(12)15/h1-10H,11H2,(H,22,23).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide has a molecular weight of 357.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 7860183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).