N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide

C15H21F3N2O — CID 112766856

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C15H21F3N2O/c1-10(2)5-8-14(21)19-12-9-11(15(16,17)18)6-7-13(12)20(3)4/h6-7,9-10H,5,8H2,1-4H3,(H,19,21)
InChIKeyFHAWLYHMRZQANG-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 112766856) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID112766856
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C15H21F3N2O/c1-10(2)5-8-14(21)19-12-9-11(15(16,17)18)6-7-13(12)20(3)4/h6-7,9-10H,5,8H2,1-4H3,(H,19,21)
InChIKeyFHAWLYHMRZQANG-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336804
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 26707982
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444667
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 17414348
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 55380801
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 112766856) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is FHAWLYHMRZQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)5-8-14(21)19-12-9-11(15(16,17)18)6-7-13(12)20(3)4/h6-7,9-10H,5,8H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 302.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 112766856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).