N-tetradecyl-2,5-bis(trifluoromethyl)benzamide

C23H33F6NO — CID 91737858

IUPACN-tetradecyl-2,5-bis(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C23H33F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-30-21(31)19-17-18(22(24,25)26)14-15-20(19)23(27,28)29/h14-15,17H,2-13,16H2,1H3,(H,30,31)
InChIKeyVIQAUWIXPXXIJZ-UHFFFAOYSA-N
MW453.51 g/mol
LogP8.16
Rot. Bonds14

About N-tetradecyl-2,5-bis(trifluoromethyl)benzamide

N-tetradecyl-2,5-bis(trifluoromethyl)benzamide (PubChem CID 91737858) has the molecular formula C23H33F6NO and a molecular weight of 453.51 g/mol. Its IUPAC name is N-tetradecyl-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-tetradecyl-2,5-bis(trifluoromethyl)benzamide
PubChem CID91737858
Molecular FormulaC23H33F6NO
Molecular Weight453.51 g/mol
Exact Mass453.25
IUPAC NameN-tetradecyl-2,5-bis(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C23H33F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-30-21(31)19-17-18(22(24,25)26)14-15-20(19)23(27,28)29/h14-15,17H,2-13,16H2,1H3,(H,30,31)
InChIKeyVIQAUWIXPXXIJZ-UHFFFAOYSA-N
XLogP8.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 58.16
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-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
heptadecyl 2,5-bis(trifluoromethyl)benzoate
CID 91737732
icosyl 2,5-bis(trifluoromethyl)benzoate
CID 91737728
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
tetradecan-3-yl 2,5-bis(trifluoromethyl)benzoate
CID 91737801
4-tert-butyl-N-nonylbenzamide
CID 4642451
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
[4-(dodecylcarbamoyl)phenyl]methyl-ethyl-[4-(trifluoromethyl)phenyl]azanium
CID 173223124

Frequently Asked Questions

What is the IUPAC name of N-tetradecyl-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-tetradecyl-2,5-bis(trifluoromethyl)benzamide (CID 91737858) is N-tetradecyl-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-tetradecyl-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-tetradecyl-2,5-bis(trifluoromethyl)benzamide is CCCCCCCCCCCCCCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-tetradecyl-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is VIQAUWIXPXXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-30-21(31)19-17-18(22(24,25)26)14-15-20(19)23(27,28)29/h14-15,17H,2-13,16H2,1H3,(H,30,31).
What are the key properties of N-tetradecyl-2,5-bis(trifluoromethyl)benzamide?
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 453.51 g/mol, XLogP of 8.16, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyl-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 91737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).