N-octadecyl-2-(trifluoromethyl)benzamide

C26H42F3NO — CID 91726413

IUPACN-octadecyl-2-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C26H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(31)23-20-17-18-21-24(23)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H,30,31)
InChIKeyQODDRVKEXNOFLW-UHFFFAOYSA-N
MW441.62 g/mol
LogP8.70
Rot. Bonds18

About N-octadecyl-2-(trifluoromethyl)benzamide

N-octadecyl-2-(trifluoromethyl)benzamide (PubChem CID 91726413) has the molecular formula C26H42F3NO and a molecular weight of 441.62 g/mol. Its IUPAC name is N-octadecyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-octadecyl-2-(trifluoromethyl)benzamide
PubChem CID91726413
Molecular FormulaC26H42F3NO
Molecular Weight441.62 g/mol
Exact Mass441.32
IUPAC NameN-octadecyl-2-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C26H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(31)23-20-17-18-21-24(23)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H,30,31)
InChIKeyQODDRVKEXNOFLW-UHFFFAOYSA-N
XLogP8.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 58.70
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-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
N-hexyl-2-methylbenzamide
CID 3017102
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-octadecyl-2-(trifluoromethyl)benzamide (CID 91726413) is N-octadecyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-octadecyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-octadecyl-2-(trifluoromethyl)benzamide is CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-octadecyl-2-(trifluoromethyl)benzamide?
The InChIKey is QODDRVKEXNOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(31)23-20-17-18-21-24(23)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H,30,31).
What are the key properties of N-octadecyl-2-(trifluoromethyl)benzamide?
N-octadecyl-2-(trifluoromethyl)benzamide has a molecular weight of 441.62 g/mol, XLogP of 8.70, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91726413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).