N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide

C18H15F4N3O — CID 142842324

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide
SMILESCC(CNc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c1-11(10-24-14-6-3-13(19)4-7-14)17(26)25-15-5-2-12(9-23)16(8-15)18(20,21)22/h2-8,11,24H,10H2,1H3,(H,25,26)
InChIKeyBDKHGZPYSVDWMD-UHFFFAOYSA-N
MW365.33 g/mol
LogP4.40
Rot. Bonds5

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide (PubChem CID 142842324) has the molecular formula C18H15F4N3O and a molecular weight of 365.33 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide
PubChem CID142842324
Molecular FormulaC18H15F4N3O
Molecular Weight365.33 g/mol
Exact Mass365.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide
SMILESCC(CNc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F4N3O/c1-11(10-24-14-6-3-13(19)4-7-14)17(26)25-15-5-2-12(9-23)16(8-15)18(20,21)22/h2-8,11,24H,10H2,1H3,(H,25,26)
InChIKeyBDKHGZPYSVDWMD-UHFFFAOYSA-N
XLogP4.40
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide (CID 142842324) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide is CC(CNc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide?
The InChIKey is BDKHGZPYSVDWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O/c1-11(10-24-14-6-3-13(19)4-7-14)17(26)25-15-5-2-12(9-23)16(8-15)18(20,21)22/h2-8,11,24H,10H2,1H3,(H,25,26).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide has a molecular weight of 365.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)-2-methylpropanamide is sourced from PubChem (CID 142842324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).