2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide

C16H20F3NO2 — CID 91423185

IUPAC2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
SMILESCCCCCCCC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-2-3-4-5-6-10-14(21)15(22)20-13-9-7-8-12(11-13)16(17,18)19/h7-9,11H,2-6,10H2,1H3,(H,20,22)
InChIKeyFNUTXWDWPPTOCD-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.57
Rot. Bonds8

About 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide

2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide (PubChem CID 91423185) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
PubChem CID91423185
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
SMILESCCCCCCCC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-2-3-4-5-6-10-14(21)15(22)20-13-9-7-8-12(11-13)16(17,18)19/h7-9,11H,2-6,10H2,1H3,(H,20,22)
InChIKeyFNUTXWDWPPTOCD-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
magnesium;N-ethyl-3-(trifluoromethyl)aniline;bis(octadecanoate)
CID 159896907
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
1-(4-hexylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 27255794
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113123127

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide (CID 91423185) is 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide is CCCCCCCC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide?
The InChIKey is FNUTXWDWPPTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-3-4-5-6-10-14(21)15(22)20-13-9-7-8-12(11-13)16(17,18)19/h7-9,11H,2-6,10H2,1H3,(H,20,22).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide?
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide has a molecular weight of 315.33 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide is sourced from PubChem (CID 91423185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).