N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide

C24H38F3NO — CID 532934

IUPACN,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H38F3NO/c1-5-9-12-19(7-3)17-28(18-20(8-4)13-10-6-2)23(29)21-14-11-15-22(16-21)24(25,26)27/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
InChIKeyGPFZSNFJPJKEOK-UHFFFAOYSA-N
MW413.57 g/mol
LogP7.58
Rot. Bonds13

About N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide

N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide (PubChem CID 532934) has the molecular formula C24H38F3NO and a molecular weight of 413.57 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide
PubChem CID532934
Molecular FormulaC24H38F3NO
Molecular Weight413.57 g/mol
Exact Mass413.29
IUPAC NameN,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H38F3NO/c1-5-9-12-19(7-3)17-28(18-20(8-4)13-10-6-2)23(29)21-14-11-15-22(16-21)24(25,26)27/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
InChIKeyGPFZSNFJPJKEOK-UHFFFAOYSA-N
XLogP7.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide (CID 532934) is N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GPFZSNFJPJKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F3NO/c1-5-9-12-19(7-3)17-28(18-20(8-4)13-10-6-2)23(29)21-14-11-15-22(16-21)24(25,26)27/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide?
N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide has a molecular weight of 413.57 g/mol, XLogP of 7.58, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 532934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).