5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride

C23H23Cl2F3N4O2 — CID 67024346

IUPAC5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride
SMILESCl.Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1C(=O)NC1CC1
InChIInChI=1S/C23H22ClF3N4O2.ClH/c1-22(2,33-18-11-8-13(24)12-16(18)20(32)28-14-9-10-14)21-30-29-19(31(21)3)15-6-4-5-7-17(15)23(25,26)27;/h4-8,11-12,14H,9-10H2,1-3H3,(H,28,32);1H
InChIKeyNUVLBGIQZBMCOY-UHFFFAOYSA-N
MW515.36 g/mol
LogP5.78
Rot. Bonds6

About 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride

5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride (PubChem CID 67024346) has the molecular formula C23H23Cl2F3N4O2 and a molecular weight of 515.36 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride
PubChem CID67024346
Molecular FormulaC23H23Cl2F3N4O2
Molecular Weight515.36 g/mol
Exact Mass514.12
IUPAC Name5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride
SMILESCl.Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1C(=O)NC1CC1
InChIInChI=1S/C23H22ClF3N4O2.ClH/c1-22(2,33-18-11-8-13(24)12-16(18)20(32)28-14-9-10-14)21-30-29-19(31(21)3)15-6-4-5-7-17(15)23(25,26)27;/h4-8,11-12,14H,9-10H2,1-3H3,(H,28,32);1H
InChIKeyNUVLBGIQZBMCOY-UHFFFAOYSA-N
XLogP5.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.36
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride?
The IUPAC name of 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride (CID 67024346) is 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride is Cl.Cn1c(-c2ccccc2C(F)(F)F)nnc1C(C)(C)Oc1ccc(Cl)cc1C(=O)NC1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride?
The InChIKey is NUVLBGIQZBMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O2.ClH/c1-22(2,33-18-11-8-13(24)12-16(18)20(32)28-14-9-10-14)21-30-29-19(31(21)3)15-6-4-5-7-17(15)23(25,26)27;/h4-8,11-12,14H,9-10H2,1-3H3,(H,28,32);1H.
What are the key properties of 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride?
5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride has a molecular weight of 515.36 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzamide;hydrochloride is sourced from PubChem (CID 67024346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).