N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C15H19F3N2O2 — CID 572219

IUPACN-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCc1cccc(NC(=O)CCCCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-11-6-5-7-12(10-11)20-13(21)8-3-2-4-9-19-14(22)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyQEQUQOYLYXUWST-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.17
Rot. Bonds7

About N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 572219) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID572219
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCc1cccc(NC(=O)CCCCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-11-6-5-7-12(10-11)20-13(21)8-3-2-4-9-19-14(22)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyQEQUQOYLYXUWST-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 572219) is N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is Cc1cccc(NC(=O)CCCCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is QEQUQOYLYXUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-11-6-5-7-12(10-11)20-13(21)8-3-2-4-9-19-14(22)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 316.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 572219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).