N-decyl-5-fluoro-2-(trifluoromethyl)benzamide

C18H25F4NO — CID 91731309

IUPACN-decyl-5-fluoro-2-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCNC(=O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C18H25F4NO/c1-2-3-4-5-6-7-8-9-12-23-17(24)15-13-14(19)10-11-16(15)18(20,21)22/h10-11,13H,2-9,12H2,1H3,(H,23,24)
InChIKeyFXJAKWJSVBTGDM-UHFFFAOYSA-N
MW347.40 g/mol
LogP5.72
Rot. Bonds10

About N-decyl-5-fluoro-2-(trifluoromethyl)benzamide

N-decyl-5-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 91731309) has the molecular formula C18H25F4NO and a molecular weight of 347.40 g/mol. Its IUPAC name is N-decyl-5-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-decyl-5-fluoro-2-(trifluoromethyl)benzamide
PubChem CID91731309
Molecular FormulaC18H25F4NO
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC NameN-decyl-5-fluoro-2-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCNC(=O)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C18H25F4NO/c1-2-3-4-5-6-7-8-9-12-23-17(24)15-13-14(19)10-11-16(15)18(20,21)22/h10-11,13H,2-9,12H2,1H3,(H,23,24)
InChIKeyFXJAKWJSVBTGDM-UHFFFAOYSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.40
LogP ≤ 55.72
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-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
dodecyl 2-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739536
octadecyl 2-[[5-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739541
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040

Frequently Asked Questions

What is the IUPAC name of N-decyl-5-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-decyl-5-fluoro-2-(trifluoromethyl)benzamide (CID 91731309) is N-decyl-5-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-decyl-5-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-decyl-5-fluoro-2-(trifluoromethyl)benzamide is CCCCCCCCCCNC(=O)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-decyl-5-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is FXJAKWJSVBTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F4NO/c1-2-3-4-5-6-7-8-9-12-23-17(24)15-13-14(19)10-11-16(15)18(20,21)22/h10-11,13H,2-9,12H2,1H3,(H,23,24).
What are the key properties of N-decyl-5-fluoro-2-(trifluoromethyl)benzamide?
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 347.40 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-5-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 91731309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).