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

C16H15F2NO — CID 63213412

IUPACN-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
SMILESCCN(C(=O)c1ccc(F)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-3-19(14-6-4-5-13(17)10-14)16(20)12-7-8-15(18)11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyONDLLGFESMTZEV-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.94
Rot. Bonds3

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

N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide (PubChem CID 63213412) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
PubChem CID63213412
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
SMILESCCN(C(=O)c1ccc(F)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-3-19(14-6-4-5-13(17)10-14)16(20)12-7-8-15(18)11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyONDLLGFESMTZEV-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-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115865
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide (CID 63213412) is N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide is CCN(C(=O)c1ccc(F)c(C)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide?
The InChIKey is ONDLLGFESMTZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-3-19(14-6-4-5-13(17)10-14)16(20)12-7-8-15(18)11(2)9-12/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide?
N-ethyl-4-fluoro-N-(3-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-(3-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 63213412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).