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

C16H15F2NO2 — CID 115678718

IUPACN-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)cc2F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-3-21-15-7-5-11(9-14(15)18)19-16(20)12-6-4-10(2)8-13(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyWNDCYFIEGSZGLJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.92
Rot. Bonds4

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

N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide (PubChem CID 115678718) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
PubChem CID115678718
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)cc2F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-3-21-15-7-5-11(9-14(15)18)19-16(20)12-6-4-10(2)8-13(12)17/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyWNDCYFIEGSZGLJ-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

N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide (CID 115678718) is N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)cc2F)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide?
The InChIKey is WNDCYFIEGSZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-3-21-15-7-5-11(9-14(15)18)19-16(20)12-6-4-10(2)8-13(12)17/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide?
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-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-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 115678718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).