N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide

C16H15F2NO — CID 63213159

IUPACN-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
SMILESCCN(C(=O)c1ccc(F)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO/c1-3-19(14-7-5-13(17)6-8-14)16(20)12-4-9-15(18)11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyWILLZYJJFPIJDA-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.94
Rot. Bonds3

About N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide

N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide (PubChem CID 63213159) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
PubChem CID63213159
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
SMILESCCN(C(=O)c1ccc(F)c(C)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO/c1-3-19(14-7-5-13(17)6-8-14)16(20)12-4-9-15(18)11(2)10-12/h4-10H,3H2,1-2H3
InChIKeyWILLZYJJFPIJDA-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
4-amino-N-ethyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 63185035
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide (CID 63213159) is N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide is CCN(C(=O)c1ccc(F)c(C)c1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide?
The InChIKey is WILLZYJJFPIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-3-19(14-7-5-13(17)6-8-14)16(20)12-4-9-15(18)11(2)10-12/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide?
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide has a molecular weight of 275.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 63213159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).