N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide

C17H17F2NO3 — CID 26212684

IUPACN-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2c(F)cccc2F)cc1OCC
InChIInChI=1S/C17H17F2NO3/c1-3-22-14-9-8-11(10-15(14)23-4-2)20-17(21)16-12(18)6-5-7-13(16)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyWODLJGJZMWKVBM-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.01
Rot. Bonds6

About N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide

N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide (PubChem CID 26212684) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
PubChem CID26212684
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
SMILESCCOc1ccc(NC(=O)c2c(F)cccc2F)cc1OCC
InChIInChI=1S/C17H17F2NO3/c1-3-22-14-9-8-11(10-15(14)23-4-2)20-17(21)16-12(18)6-5-7-13(16)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyWODLJGJZMWKVBM-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide (CID 26212684) is N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide is CCOc1ccc(NC(=O)c2c(F)cccc2F)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide?
The InChIKey is WODLJGJZMWKVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-3-22-14-9-8-11(10-15(14)23-4-2)20-17(21)16-12(18)6-5-7-13(16)19/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide?
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide has a molecular weight of 321.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 26212684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).