N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide

C17H16FNO3 — CID 113197476

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-17(2,11-3-5-12(18)6-4-11)16(20)19-13-7-8-14-15(9-13)22-10-21-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHNHNACCKCPALFA-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.47
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide

N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 113197476) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide
PubChem CID113197476
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO3/c1-17(2,11-3-5-12(18)6-4-11)16(20)19-13-7-8-14-15(9-13)22-10-21-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHNHNACCKCPALFA-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(4-fluorophenyl)urea
CID 47087353
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(4-fluorophenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198106
1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958506
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968510
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
N-(1,3-benzodioxol-5-yl)-8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
CID 4639450

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide (CID 113197476) is N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is HNHNACCKCPALFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-17(2,11-3-5-12(18)6-4-11)16(20)19-13-7-8-14-15(9-13)22-10-21-14/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide?
N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 301.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 113197476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).