2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide

C24H28ClF3N2O — CID 25206245

IUPAC2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
SMILESCCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C24H28ClF3N2O/c1-4-16-12-13-23(2,30(3)15-16)21(17-8-6-5-7-9-17)29-22(31)19-14-18(24(26,27)28)10-11-20(19)25/h5-11,14,16,21H,4,12-13,15H2,1-3H3,(H,29,31)
InChIKeyUHLBYGWPMHEUOY-UHFFFAOYSA-N
MW452.95 g/mol
LogP6.34
Rot. Bonds5

About 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide (PubChem CID 25206245) has the molecular formula C24H28ClF3N2O and a molecular weight of 452.95 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
PubChem CID25206245
Molecular FormulaC24H28ClF3N2O
Molecular Weight452.95 g/mol
Exact Mass452.18
IUPAC Name2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
SMILESCCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C24H28ClF3N2O/c1-4-16-12-13-23(2,30(3)15-16)21(17-8-6-5-7-9-17)29-22(31)19-14-18(24(26,27)28)10-11-20(19)25/h5-11,14,16,21H,4,12-13,15H2,1-3H3,(H,29,31)
InChIKeyUHLBYGWPMHEUOY-UHFFFAOYSA-N
XLogP6.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide (CID 25206245) is 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide is CCC1CCC(C)(C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc2)N(C)C1.
What is the InChIKey of 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is UHLBYGWPMHEUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N2O/c1-4-16-12-13-23(2,30(3)15-16)21(17-8-6-5-7-9-17)29-22(31)19-14-18(24(26,27)28)10-11-20(19)25/h5-11,14,16,21H,4,12-13,15H2,1-3H3,(H,29,31).
What are the key properties of 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 452.95 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 25206245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).