N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H14FNO3 — CID 155977100

IUPACN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H14FNO3/c1-10-5-6-11(17)9-13(10)18-16(19)12-3-2-4-14-15(12)21-8-7-20-14/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyQMMIDPZARWZAMQ-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.16
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 155977100) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID155977100
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H14FNO3/c1-10-5-6-11(17)9-13(10)18-16(19)12-3-2-4-14-15(12)21-8-7-20-14/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyQMMIDPZARWZAMQ-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614630
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86779974
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
N-(2-amino-6-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614559
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763750
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 155977100) is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1cccc2c1OCCO2.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QMMIDPZARWZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-5-6-11(17)9-13(10)18-16(19)12-3-2-4-14-15(12)21-8-7-20-14/h2-6,9H,7-8H2,1H3,(H,18,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 155977100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).