N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide

C15H12FNO4 — CID 2709600

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12FNO4/c16-10-2-1-3-12(6-10)19-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18)
InChIKeyMKHRVNGSXXXPSD-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.57
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide (PubChem CID 2709600) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
PubChem CID2709600
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12FNO4/c16-10-2-1-3-12(6-10)19-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18)
InChIKeyMKHRVNGSXXXPSD-UHFFFAOYSA-N
XLogP2.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 9479398
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
CID 110715051
N-(3,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24582149
N-(1,3-benzodioxol-5-yl)-2-quinolin-6-yloxyacetamide
CID 112978730

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide (CID 2709600) is N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is MKHRVNGSXXXPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-10-2-1-3-12(6-10)19-8-15(18)17-11-4-5-13-14(7-11)21-9-20-13/h1-7H,8-9H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 289.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 2709600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).