6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide

C14H16F3NO2 — CID 12857135

IUPAC6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
SMILESCC(=O)CCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c1-10(19)5-2-3-8-13(20)18-12-7-4-6-11(9-12)14(15,16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,20)
InChIKeyKXHANNJNQWRNKY-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.79
Rot. Bonds6

About 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide

6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide (PubChem CID 12857135) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide.

Molecular Properties

Compound Name6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
PubChem CID12857135
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
SMILESCC(=O)CCCCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c1-10(19)5-2-3-8-13(20)18-12-7-4-6-11(9-12)14(15,16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,20)
InChIKeyKXHANNJNQWRNKY-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
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CID 3619896
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980
CID 89006052
CID 89006052
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109012118

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide?
The IUPAC name of 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide (CID 12857135) is 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide.
What is the SMILES notation for 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide?
The canonical SMILES for 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide is CC(=O)CCCCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide?
The InChIKey is KXHANNJNQWRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10(19)5-2-3-8-13(20)18-12-7-4-6-11(9-12)14(15,16)17/h4,6-7,9H,2-3,5,8H2,1H3,(H,18,20).
What are the key properties of 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide?
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide has a molecular weight of 287.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide is sourced from PubChem (CID 12857135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).