4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide

C25H28F6N2O4 — CID 21452885

IUPAC4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
SMILESCC(CCCCCC(C)NC(=O)c1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F6N2O4/c1-16(32-22(34)18-8-12-20(13-9-18)36-24(26,27)28)6-4-3-5-7-17(2)33-23(35)19-10-14-21(15-11-19)37-25(29,30)31/h8-17H,3-7H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyNWLNAYCIHRLJGQ-UHFFFAOYSA-N
MW534.50 g/mol
LogP6.37
Rot. Bonds12

About 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide

4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide (PubChem CID 21452885) has the molecular formula C25H28F6N2O4 and a molecular weight of 534.50 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
PubChem CID21452885
Molecular FormulaC25H28F6N2O4
Molecular Weight534.50 g/mol
Exact Mass534.20
IUPAC Name4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
SMILESCC(CCCCCC(C)NC(=O)c1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F6N2O4/c1-16(32-22(34)18-8-12-20(13-9-18)36-24(26,27)28)6-4-3-5-7-17(2)33-23(35)19-10-14-21(15-11-19)37-25(29,30)31/h8-17H,3-7H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyNWLNAYCIHRLJGQ-UHFFFAOYSA-N
XLogP6.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide
CID 58342810
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 91327387
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide (CID 21452885) is 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide is CC(CCCCCC(C)NC(=O)c1ccc(OC(F)(F)F)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide?
The InChIKey is NWLNAYCIHRLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F6N2O4/c1-16(32-22(34)18-8-12-20(13-9-18)36-24(26,27)28)6-4-3-5-7-17(2)33-23(35)19-10-14-21(15-11-19)37-25(29,30)31/h8-17H,3-7H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide?
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide has a molecular weight of 534.50 g/mol, XLogP of 6.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide is sourced from PubChem (CID 21452885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).