N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide

C23H19F3N2O3 — CID 38231454

IUPACN-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)18-9-5-11-20(15-18)31-19-10-4-8-17(14-19)22(30)28-13-12-27-21(29)16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30)
InChIKeyRNWNIZLOWNQQLA-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.66
Rot. Bonds7

About N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide

N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 38231454) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID38231454
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)18-9-5-11-20(15-18)31-19-10-4-8-17(14-19)22(30)28-13-12-27-21(29)16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30)
InChIKeyRNWNIZLOWNQQLA-UHFFFAOYSA-N
XLogP4.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
3-[[4-methyl-3-[1-[3-[3-(trifluoromethyl)phenoxy]phenyl]ethylideneamino]benzoyl]amino]propanoic acid
CID 142256753
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
3-[2-methyl-4-[3-[2-[3-(trifluoromethyl)phenyl]ethylcarbamoyl]phenoxy]phenyl]propanoic acid
CID 58853811
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide (CID 38231454) is N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide is O=C(NCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is RNWNIZLOWNQQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)18-9-5-11-20(15-18)31-19-10-4-8-17(14-19)22(30)28-13-12-27-21(29)16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 38231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).