3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

C16H14F4N2O — CID 109040733

IUPAC3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNc1cccc(F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O/c17-12-4-2-5-13(10-12)21-8-7-15(23)22-14-6-1-3-11(9-14)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyWWIGKXGQJQJNKE-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.29
Rot. Bonds5

About 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109040733) has the molecular formula C16H14F4N2O and a molecular weight of 326.29 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109040733
Molecular FormulaC16H14F4N2O
Molecular Weight326.29 g/mol
Exact Mass326.10
IUPAC Name3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNc1cccc(F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O/c17-12-4-2-5-13(10-12)21-8-7-15(23)22-14-6-1-3-11(9-14)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyWWIGKXGQJQJNKE-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109040794
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
CID 89006052
CID 89006052
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109040733) is 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCNc1cccc(F)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WWIGKXGQJQJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O/c17-12-4-2-5-13(10-12)21-8-7-15(23)22-14-6-1-3-11(9-14)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23).
What are the key properties of 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 326.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109040733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).