2-[4-(trifluoromethyl)anilino]butanamide

C11H13F3N2O — CID 55130262

IUPAC2-[4-(trifluoromethyl)anilino]butanamide
SMILESCCC(Nc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H13F3N2O/c1-2-9(10(15)17)16-8-5-3-7(4-6-8)11(12,13)14/h3-6,9,16H,2H2,1H3,(H2,15,17)
InChIKeyPPIXGZIMZZXCMU-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.38
Rot. Bonds4

About 2-[4-(trifluoromethyl)anilino]butanamide

2-[4-(trifluoromethyl)anilino]butanamide (PubChem CID 55130262) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]butanamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]butanamide
PubChem CID55130262
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-[4-(trifluoromethyl)anilino]butanamide
SMILESCCC(Nc1ccc(C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C11H13F3N2O/c1-2-9(10(15)17)16-8-5-3-7(4-6-8)11(12,13)14/h3-6,9,16H,2H2,1H3,(H2,15,17)
InChIKeyPPIXGZIMZZXCMU-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodoanilino)butanamide
CID 62900403
2-(4-methoxyanilino)butanamide
CID 61005469
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pentanimidamide
CID 77025322
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
N-(1-chlorobutan-2-yl)-4-(trifluoromethyl)aniline
CID 65030358
ditert-butyl (2S)-2-[4-(trifluoromethyl)anilino]pentanedioate
CID 177395978
5-methoxy-2-[4-(trifluoromethyl)anilino]pentanoic acid
CID 81077709
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]butanamide?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]butanamide (CID 55130262) is 2-[4-(trifluoromethyl)anilino]butanamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]butanamide?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]butanamide is CCC(Nc1ccc(C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]butanamide?
The InChIKey is PPIXGZIMZZXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-9(10(15)17)16-8-5-3-7(4-6-8)11(12,13)14/h3-6,9,16H,2H2,1H3,(H2,15,17).
What are the key properties of 2-[4-(trifluoromethyl)anilino]butanamide?
2-[4-(trifluoromethyl)anilino]butanamide has a molecular weight of 246.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]butanamide is sourced from PubChem (CID 55130262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).