3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C18H15F5N2O2 — CID 113135449

IUPAC3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F
InChIInChI=1S/C18H15F5N2O2/c1-11(26)25(17-14(19)6-3-7-15(17)20)9-8-16(27)24-13-5-2-4-12(10-13)18(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeyFEGMYBXFFNILRK-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.37
Rot. Bonds5

About 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113135449) has the molecular formula C18H15F5N2O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113135449
Molecular FormulaC18H15F5N2O2
Molecular Weight386.32 g/mol
Exact Mass386.11
IUPAC Name3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F
InChIInChI=1S/C18H15F5N2O2/c1-11(26)25(17-14(19)6-3-7-15(17)20)9-8-16(27)24-13-5-2-4-12(10-13)18(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeyFEGMYBXFFNILRK-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(2,4-difluorophenyl)propanamide
CID 113130502
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)propanamide
CID 113130495
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113119982
3-[3-hydroxybutyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912610

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113135449) is 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F.
What is the InChIKey of 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FEGMYBXFFNILRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O2/c1-11(26)25(17-14(19)6-3-7-15(17)20)9-8-16(27)24-13-5-2-4-12(10-13)18(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 386.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113135449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).