N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide

C16H14FNO3 — CID 56781359

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-11(19)18(14-5-3-13(17)4-6-14)9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3
InChIKeyWAVNOOHXVNRDSS-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.11
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide (PubChem CID 56781359) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide
PubChem CID56781359
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-11(19)18(14-5-3-13(17)4-6-14)9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3
InChIKeyWAVNOOHXVNRDSS-UHFFFAOYSA-N
XLogP3.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 99804713
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120591840
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 119319750
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 38162398
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[(4-fluorophenyl)methyl]urea
CID 42723712
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfanyl-N-methylacetamide
CID 30510206
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
2-(N-acetyl-4-methylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113167686
1-(1,3-benzodioxol-5-ylmethyl)-3-diazo-1-(4-methylphenyl)urea
CID 135051932

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide (CID 56781359) is N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide is CC(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is WAVNOOHXVNRDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11(19)18(14-5-3-13(17)4-6-14)9-12-2-7-15-16(8-12)21-10-20-15/h2-8H,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 287.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 56781359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).