N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide

C18H18F4N2O — CID 174234085

IUPACN-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H18F4N2O/c1-17(2,3)10-16(25)24-15-9-12(6-7-23-15)11-4-5-14(19)13(8-11)18(20,21)22/h4-9H,10H2,1-3H3,(H,23,24,25)
InChIKeyWEAKHQVTJZTEPQ-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.28
Rot. Bonds3

About N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide

N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 174234085) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide
PubChem CID174234085
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC NameN-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C18H18F4N2O/c1-17(2,3)10-16(25)24-15-9-12(6-7-23-15)11-4-5-14(19)13(8-11)18(20,21)22/h4-9H,10H2,1-3H3,(H,23,24,25)
InChIKeyWEAKHQVTJZTEPQ-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide (CID 174234085) is N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cc(-c2ccc(F)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is WEAKHQVTJZTEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c1-17(2,3)10-16(25)24-15-9-12(6-7-23-15)11-4-5-14(19)13(8-11)18(20,21)22/h4-9H,10H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide?
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 354.35 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 174234085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).