N,N-diheptyl-3-(trifluoromethyl)benzamide

C22H34F3NO — CID 532935

IUPACN,N-diheptyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCN(CCCCCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H34F3NO/c1-3-5-7-9-11-16-26(17-12-10-8-6-4-2)21(27)19-14-13-15-20(18-19)22(23,24)25/h13-15,18H,3-12,16-17H2,1-2H3
InChIKeyQMZFUXZYSSVWNY-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.09
Rot. Bonds13

About N,N-diheptyl-3-(trifluoromethyl)benzamide

N,N-diheptyl-3-(trifluoromethyl)benzamide (PubChem CID 532935) has the molecular formula C22H34F3NO and a molecular weight of 385.51 g/mol. Its IUPAC name is N,N-diheptyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-diheptyl-3-(trifluoromethyl)benzamide
PubChem CID532935
Molecular FormulaC22H34F3NO
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC NameN,N-diheptyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCCN(CCCCCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H34F3NO/c1-3-5-7-9-11-16-26(17-12-10-8-6-4-2)21(27)19-14-13-15-20(18-19)22(23,24)25/h13-15,18H,3-12,16-17H2,1-2H3
InChIKeyQMZFUXZYSSVWNY-UHFFFAOYSA-N
XLogP7.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.09
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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Frequently Asked Questions

What is the IUPAC name of N,N-diheptyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-diheptyl-3-(trifluoromethyl)benzamide (CID 532935) is N,N-diheptyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-diheptyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-diheptyl-3-(trifluoromethyl)benzamide is CCCCCCCN(CCCCCCC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-diheptyl-3-(trifluoromethyl)benzamide?
The InChIKey is QMZFUXZYSSVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F3NO/c1-3-5-7-9-11-16-26(17-12-10-8-6-4-2)21(27)19-14-13-15-20(18-19)22(23,24)25/h13-15,18H,3-12,16-17H2,1-2H3.
What are the key properties of N,N-diheptyl-3-(trifluoromethyl)benzamide?
N,N-diheptyl-3-(trifluoromethyl)benzamide has a molecular weight of 385.51 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diheptyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 532935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).