N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide

C16H15F2NO2 — CID 80711042

IUPACN-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C16H15F2NO2/c1-3-21-14-9-11(17)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZRLJYTRVUSFPTK-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.92
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide

N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 80711042) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID80711042
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
SMILESCCOc1cc(F)ccc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C16H15F2NO2/c1-3-21-14-9-11(17)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZRLJYTRVUSFPTK-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide (CID 80711042) is N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide is CCOc1cc(F)ccc1NC(=O)c1cccc(C)c1F.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is ZRLJYTRVUSFPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-3-21-14-9-11(17)7-8-13(14)19-16(20)12-6-4-5-10(2)15(12)18/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80711042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).