N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide

C25H28F6N2O4 — CID 21452931

IUPACN-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
SMILESCCN(CCCCCCCNC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F6N2O4/c1-2-33(23(35)19-10-14-21(15-11-19)37-25(29,30)31)17-7-5-3-4-6-16-32-22(34)18-8-12-20(13-9-18)36-24(26,27)28/h8-15H,2-7,16-17H2,1H3,(H,32,34)
InChIKeyMPQFKOBHONBJPW-UHFFFAOYSA-N
MW534.50 g/mol
LogP6.33
Rot. Bonds13

About N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide

N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide (PubChem CID 21452931) has the molecular formula C25H28F6N2O4 and a molecular weight of 534.50 g/mol. Its IUPAC name is N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
PubChem CID21452931
Molecular FormulaC25H28F6N2O4
Molecular Weight534.50 g/mol
Exact Mass534.20
IUPAC NameN-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
SMILESCCN(CCCCCCCNC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F6N2O4/c1-2-33(23(35)19-10-14-21(15-11-19)37-25(29,30)31)17-7-5-3-4-6-16-32-22(34)18-8-12-20(13-9-18)36-24(26,27)28/h8-15H,2-7,16-17H2,1H3,(H,32,34)
InChIKeyMPQFKOBHONBJPW-UHFFFAOYSA-N
XLogP6.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.50
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
4-[[4-(diethylcarbamoyl)benzoyl]amino]butanoic acid
CID 119352901
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-butyl-4-[2-[[2-(methylamino)-2-[4-(trifluoromethoxy)phenyl]acetyl]amino]ethyl]benzamide
CID 91053637
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682

Frequently Asked Questions

What is the IUPAC name of N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide (CID 21452931) is N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide is CCN(CCCCCCCNC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is MPQFKOBHONBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F6N2O4/c1-2-33(23(35)19-10-14-21(15-11-19)37-25(29,30)31)17-7-5-3-4-6-16-32-22(34)18-8-12-20(13-9-18)36-24(26,27)28/h8-15H,2-7,16-17H2,1H3,(H,32,34).
What are the key properties of N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide?
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 534.50 g/mol, XLogP of 6.33, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 21452931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).