2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide

C13H16F4N2O — CID 63037185

IUPAC2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-3-6-18-12(20)8(2)19-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20)
InChIKeyCKYCNIHNXZWNNI-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide

2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide (PubChem CID 63037185) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
PubChem CID63037185
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-3-6-18-12(20)8(2)19-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20)
InChIKeyCKYCNIHNXZWNNI-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63668958
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
2-(4-carbamothioyl-2-fluoroanilino)-N-propylpropanamide
CID 61478178
2-(2-methylsulfanylanilino)-N-propylpropanamide
CID 113219250
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide (CID 63037185) is 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide?
The InChIKey is CKYCNIHNXZWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-3-6-18-12(20)8(2)19-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8,19H,3,6H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide?
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide has a molecular weight of 292.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide is sourced from PubChem (CID 63037185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).