N-decyl-N-ethyl-3-(trifluoromethyl)benzamide

C20H30F3NO — CID 91726464

IUPACN-decyl-N-ethyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(CC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO/c1-3-5-6-7-8-9-10-11-15-24(4-2)19(25)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,3-11,15H2,1-2H3
InChIKeyPLQVVGFXVLZDMN-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.31
Rot. Bonds11

About N-decyl-N-ethyl-3-(trifluoromethyl)benzamide

N-decyl-N-ethyl-3-(trifluoromethyl)benzamide (PubChem CID 91726464) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is N-decyl-N-ethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-decyl-N-ethyl-3-(trifluoromethyl)benzamide
PubChem CID91726464
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN-decyl-N-ethyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(CC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO/c1-3-5-6-7-8-9-10-11-15-24(4-2)19(25)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,3-11,15H2,1-2H3
InChIKeyPLQVVGFXVLZDMN-UHFFFAOYSA-N
XLogP6.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-methyl-N,N-di(undecyl)benzamide
CID 533252
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
octadecyl 3-(trifluoromethyl)benzoate
CID 605694
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-amino-N,N-didecylbenzamide
CID 19389018

Frequently Asked Questions

What is the IUPAC name of N-decyl-N-ethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-decyl-N-ethyl-3-(trifluoromethyl)benzamide (CID 91726464) is N-decyl-N-ethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-decyl-N-ethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-decyl-N-ethyl-3-(trifluoromethyl)benzamide is CCCCCCCCCCN(CC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-decyl-N-ethyl-3-(trifluoromethyl)benzamide?
The InChIKey is PLQVVGFXVLZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-3-5-6-7-8-9-10-11-15-24(4-2)19(25)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,3-11,15H2,1-2H3.
What are the key properties of N-decyl-N-ethyl-3-(trifluoromethyl)benzamide?
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide has a molecular weight of 357.46 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-ethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91726464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).