4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H29F3N2O2 — CID 46500977

IUPAC4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-2-3-4-5-6-7-8-12-22(30)28-20-15-13-18(14-16-20)23(31)29-21-11-9-10-19(17-21)24(25,26)27/h9-11,13-17H,2-8,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyYPRVMZRRSPXNSY-UHFFFAOYSA-N
MW434.50 g/mol
LogP7.04
Rot. Bonds11

About 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 46500977) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID46500977
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-2-3-4-5-6-7-8-12-22(30)28-20-15-13-18(14-16-20)23(31)29-21-11-9-10-19(17-21)24(25,26)27/h9-11,13-17H,2-8,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyYPRVMZRRSPXNSY-UHFFFAOYSA-N
XLogP7.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185
4-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887334
4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795283

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 46500977) is 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YPRVMZRRSPXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-2-3-4-5-6-7-8-12-22(30)28-20-15-13-18(14-16-20)23(31)29-21-11-9-10-19(17-21)24(25,26)27/h9-11,13-17H,2-8,12H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 7.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 46500977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).