N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide

C16H15F2NO2 — CID 71822129

IUPACN-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
SMILESCCOc1ccccc1CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-9-12(17)7-8-14(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyXOLYHPSNNGAZHV-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.29
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide

N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide (PubChem CID 71822129) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
PubChem CID71822129
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
SMILESCCOc1ccccc1CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-9-12(17)7-8-14(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyXOLYHPSNNGAZHV-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide (CID 71822129) is N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide is CCOc1ccccc1CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide?
The InChIKey is XOLYHPSNNGAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-9-12(17)7-8-14(13)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide?
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 71822129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).