N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide

C17H17F2NO5 — CID 17394633

IUPACN-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C17H17F2NO5/c1-22-13-9-15(24-3)14(23-2)8-10(13)16(21)20-11-6-4-5-7-12(11)25-17(18)19/h4-9,17H,1-3H3,(H,20,21)
InChIKeyRNFZZEUSSNGERJ-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide

N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide (PubChem CID 17394633) has the molecular formula C17H17F2NO5 and a molecular weight of 353.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
PubChem CID17394633
Molecular FormulaC17H17F2NO5
Molecular Weight353.32 g/mol
Exact Mass353.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C17H17F2NO5/c1-22-13-9-15(24-3)14(23-2)8-10(13)16(21)20-11-6-4-5-7-12(11)25-17(18)19/h4-9,17H,1-3H3,(H,20,21)
InChIKeyRNFZZEUSSNGERJ-UHFFFAOYSA-N
XLogP3.57
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1396157
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
CID 17397142
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide (CID 17394633) is N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccccc2OC(F)F)cc1OC.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide?
The InChIKey is RNFZZEUSSNGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5/c1-22-13-9-15(24-3)14(23-2)8-10(13)16(21)20-11-6-4-5-7-12(11)25-17(18)19/h4-9,17H,1-3H3,(H,20,21).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide?
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide has a molecular weight of 353.32 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 17394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).