2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide

C16H14F2N2O3 — CID 108998808

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O3/c17-11-2-1-3-12(18)16(11)20-15(21)8-19-7-10-4-5-13-14(6-10)23-9-22-13/h1-6,19H,7-9H2,(H,20,21)
InChIKeySDCWIZSCKNOYIG-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.42
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 108998808) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
PubChem CID108998808
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O3/c17-11-2-1-3-12(18)16(11)20-15(21)8-19-7-10-4-5-13-14(6-10)23-9-22-13/h1-6,19H,7-9H2,(H,20,21)
InChIKeySDCWIZSCKNOYIG-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329421
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
2-(1,3-benzodioxol-5-ylmethylamino)-3-fluorobenzoic acid
CID 62905244
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375
N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide
CID 43816680
2-(1,3-benzodioxol-5-ylmethylamino)-N-[4-(diethylamino)phenyl]acetamide
CID 108998771
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 108998748
2-(1,3-benzodioxol-5-ylmethylamino)-N-(cyclopropylmethyl)acetamide
CID 60720069
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide (CID 108998808) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide is O=C(CNCc1ccc2c(c1)OCO2)Nc1c(F)cccc1F.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is SDCWIZSCKNOYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-11-2-1-3-12(18)16(11)20-15(21)8-19-7-10-4-5-13-14(6-10)23-9-22-13/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 320.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 108998808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).