N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide

C27H25F4NO2 — CID 175747505

IUPACN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
SMILESCc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33)
InChIKeyDBJNTQOGCUTWER-UHFFFAOYSA-N
MW471.49 g/mol
LogP7.21
Rot. Bonds7

About N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide

N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide (PubChem CID 175747505) has the molecular formula C27H25F4NO2 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
PubChem CID175747505
Molecular FormulaC27H25F4NO2
Molecular Weight471.49 g/mol
Exact Mass471.18
IUPAC NameN-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide
SMILESCc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F
InChIInChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33)
InChIKeyDBJNTQOGCUTWER-UHFFFAOYSA-N
XLogP7.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The IUPAC name of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide (CID 175747505) is N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The canonical SMILES for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide is Cc1cc(OCCc2ccccc2F)cc(C)c1C(=O)Nc1cc(C2CC2)ccc1C(F)(F)F.
What is the InChIKey of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
The InChIKey is DBJNTQOGCUTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4NO2/c1-16-13-21(34-12-11-19-5-3-4-6-23(19)28)14-17(2)25(16)26(33)32-24-15-20(18-7-8-18)9-10-22(24)27(29,30)31/h3-6,9-10,13-15,18H,7-8,11-12H2,1-2H3,(H,32,33).
What are the key properties of N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide?
N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide has a molecular weight of 471.49 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-(trifluoromethyl)phenyl]-4-[2-(2-fluorophenyl)ethoxy]-2,6-dimethylbenzamide is sourced from PubChem (CID 175747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).