N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide

C16H14FNO3 — CID 42908439

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1COc2ccccc2O1)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-12-5-3-4-11(8-12)16(19)18-9-13-10-20-14-6-1-2-7-15(14)21-13/h1-8,13H,9-10H2,(H,18,19)
InChIKeyWSCOWHKFXSQINB-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.40
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide (PubChem CID 42908439) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
PubChem CID42908439
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
SMILESO=C(NCC1COc2ccccc2O1)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3/c17-12-5-3-4-11(8-12)16(19)18-9-13-10-20-14-6-1-2-7-15(14)21-13/h1-8,13H,9-10H2,(H,18,19)
InChIKeyWSCOWHKFXSQINB-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293120
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-fluorobenzamide
CID 78771786
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-iodobenzamide
CID 55684888

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide (CID 42908439) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide is O=C(NCC1COc2ccccc2O1)c1cccc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide?
The InChIKey is WSCOWHKFXSQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-5-3-4-11(8-12)16(19)18-9-13-10-20-14-6-1-2-7-15(14)21-13/h1-8,13H,9-10H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide has a molecular weight of 287.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide is sourced from PubChem (CID 42908439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).