2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

C17H17F2NO4 — CID 51143674

IUPAC2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C17H17F2NO4/c1-22-13-8-4-3-6-11(13)10-20-16(21)12-7-5-9-14(23-2)15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeySDISTEMRMCYFBQ-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.24
Rot. Bonds7

About 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 51143674) has the molecular formula C17H17F2NO4 and a molecular weight of 337.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID51143674
Molecular FormulaC17H17F2NO4
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C17H17F2NO4/c1-22-13-8-4-3-6-11(13)10-20-16(21)12-7-5-9-14(23-2)15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeySDISTEMRMCYFBQ-UHFFFAOYSA-N
XLogP3.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 134022135
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55670050
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 51143674) is 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is SDISTEMRMCYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4/c1-22-13-8-4-3-6-11(13)10-20-16(21)12-7-5-9-14(23-2)15(12)24-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 337.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 51143674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).