N,N-didecyl-4-(trifluoromethyl)benzamide

C28H46F3NO — CID 532962

IUPACN,N-didecyl-4-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H46F3NO/c1-3-5-7-9-11-13-15-17-23-32(24-18-16-14-12-10-8-6-4-2)27(33)25-19-21-26(22-20-25)28(29,30)31/h19-22H,3-18,23-24H2,1-2H3
InChIKeyAORWJTAUBUKWDH-UHFFFAOYSA-N
MW469.68 g/mol
LogP9.43
Rot. Bonds19

About N,N-didecyl-4-(trifluoromethyl)benzamide

N,N-didecyl-4-(trifluoromethyl)benzamide (PubChem CID 532962) has the molecular formula C28H46F3NO and a molecular weight of 469.68 g/mol. Its IUPAC name is N,N-didecyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-didecyl-4-(trifluoromethyl)benzamide
PubChem CID532962
Molecular FormulaC28H46F3NO
Molecular Weight469.68 g/mol
Exact Mass469.35
IUPAC NameN,N-didecyl-4-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H46F3NO/c1-3-5-7-9-11-13-15-17-23-32(24-18-16-14-12-10-8-6-4-2)27(33)25-19-21-26(22-20-25)28(29,30)31/h19-22H,3-18,23-24H2,1-2H3
InChIKeyAORWJTAUBUKWDH-UHFFFAOYSA-N
XLogP9.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 59.43
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

4-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
4-bromo-N,N-dipentylbenzamide
CID 4599077
N,N-bis(2-chloroethyl)-4-(trifluoromethyl)benzamide
CID 98658820
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
1-N,1-N,3-N,3-N-tetraoctyl-4-(2,2,2-trifluoroacetyl)benzene-1,3-dicarboxamide
CID 10212247
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N,N-didecyl-4-(trifluoromethyl)benzamide (CID 532962) is N,N-didecyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-didecyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-didecyl-4-(trifluoromethyl)benzamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-didecyl-4-(trifluoromethyl)benzamide?
The InChIKey is AORWJTAUBUKWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46F3NO/c1-3-5-7-9-11-13-15-17-23-32(24-18-16-14-12-10-8-6-4-2)27(33)25-19-21-26(22-20-25)28(29,30)31/h19-22H,3-18,23-24H2,1-2H3.
What are the key properties of N,N-didecyl-4-(trifluoromethyl)benzamide?
N,N-didecyl-4-(trifluoromethyl)benzamide has a molecular weight of 469.68 g/mol, XLogP of 9.43, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 532962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).