N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide

C14H13F2NO2 — CID 90536053

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H13F2NO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(15)6-13(12)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyUAXGVMGFWMXLBQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.10
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide (PubChem CID 90536053) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
PubChem CID90536053
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H13F2NO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(15)6-13(12)16/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyUAXGVMGFWMXLBQ-UHFFFAOYSA-N
XLogP3.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 844983
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide (CID 90536053) is N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide is Cc1cc(CNC(=O)c2ccc(F)cc2F)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide?
The InChIKey is UAXGVMGFWMXLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(15)6-13(12)16/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide has a molecular weight of 265.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-difluorobenzamide is sourced from PubChem (CID 90536053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).