N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide

C14H19F3N2O — CID 43087018

IUPACN-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(12(20)19-13(2,3)4)18-11-7-5-10(6-8-11)14(15,16)17/h5-9,18H,1-4H3,(H,19,20)
InChIKeyAZVANTMLLJLFAG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.42
Rot. Bonds3

About N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide

N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide (PubChem CID 43087018) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
PubChem CID43087018
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H19F3N2O/c1-9(12(20)19-13(2,3)4)18-11-7-5-10(6-8-11)14(15,16)17/h5-9,18H,1-4H3,(H,19,20)
InChIKeyAZVANTMLLJLFAG-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide (CID 43087018) is N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide is CC(Nc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide?
The InChIKey is AZVANTMLLJLFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(12(20)19-13(2,3)4)18-11-7-5-10(6-8-11)14(15,16)17/h5-9,18H,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide?
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide has a molecular weight of 288.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43087018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).