N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide

C21H26F2N2O3 — CID 134022135

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C21H26F2N2O3/c1-4-25(5-2)14-16-10-7-6-9-15(16)13-24-20(26)17-11-8-12-18(27-3)19(17)28-21(22)23/h6-12,21H,4-5,13-14H2,1-3H3,(H,24,26)
InChIKeyQJKXWOKQWLBELU-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.07
Rot. Bonds10

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 134022135) has the molecular formula C21H26F2N2O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID134022135
Molecular FormulaC21H26F2N2O3
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C21H26F2N2O3/c1-4-25(5-2)14-16-10-7-6-9-15(16)13-24-20(26)17-11-8-12-18(27-3)19(17)28-21(22)23/h6-12,21H,4-5,13-14H2,1-3H3,(H,24,26)
InChIKeyQJKXWOKQWLBELU-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
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 N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 134022135) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is QJKXWOKQWLBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O3/c1-4-25(5-2)14-16-10-7-6-9-15(16)13-24-20(26)17-11-8-12-18(27-3)19(17)28-21(22)23/h6-12,21H,4-5,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 392.45 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 134022135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).