N-[3-(trifluoromethyl)phenyl]hexanamide

C13H16F3NO — CID 4609508

IUPACN-[3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-3-4-8-12(18)17-11-7-5-6-10(9-11)13(14,15)16/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyXYPHSRRLSYMAIV-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.22
Rot. Bonds5

About N-[3-(trifluoromethyl)phenyl]hexanamide

N-[3-(trifluoromethyl)phenyl]hexanamide (PubChem CID 4609508) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]hexanamide
PubChem CID4609508
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-3-4-8-12(18)17-11-7-5-6-10(9-11)13(14,15)16/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyXYPHSRRLSYMAIV-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
CID 89006052
CID 89006052

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]hexanamide (CID 4609508) is N-[3-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]hexanamide is CCCCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is XYPHSRRLSYMAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-3-4-8-12(18)17-11-7-5-6-10(9-11)13(14,15)16/h5-7,9H,2-4,8H2,1H3,(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)phenyl]hexanamide?
N-[3-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 259.27 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 4609508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).