N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide

C16H13F4NO3 — CID 17021884

IUPACN-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
SMILESCCOc1cc(NC(=O)c2c(F)cccc2F)ccc1OC(F)F
InChIInChI=1S/C16H13F4NO3/c1-2-23-13-8-9(6-7-12(13)24-16(19)20)21-15(22)14-10(17)4-3-5-11(14)18/h3-8,16H,2H2,1H3,(H,21,22)
InChIKeyDFSWFAMLEBUPKH-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide (PubChem CID 17021884) has the molecular formula C16H13F4NO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
PubChem CID17021884
Molecular FormulaC16H13F4NO3
Molecular Weight343.28 g/mol
Exact Mass343.08
IUPAC NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
SMILESCCOc1cc(NC(=O)c2c(F)cccc2F)ccc1OC(F)F
InChIInChI=1S/C16H13F4NO3/c1-2-23-13-8-9(6-7-12(13)24-16(19)20)21-15(22)14-10(17)4-3-5-11(14)18/h3-8,16H,2H2,1H3,(H,21,22)
InChIKeyDFSWFAMLEBUPKH-UHFFFAOYSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509842
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280074
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277262
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide (CID 17021884) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide is CCOc1cc(NC(=O)c2c(F)cccc2F)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide?
The InChIKey is DFSWFAMLEBUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO3/c1-2-23-13-8-9(6-7-12(13)24-16(19)20)21-15(22)14-10(17)4-3-5-11(14)18/h3-8,16H,2H2,1H3,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide?
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide has a molecular weight of 343.28 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 17021884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).