2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C22H24Cl2F3N3O — CID 164620630

IUPAC2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H24Cl2F3N3O/c1-13-8-10-30(11-9-13)20-15(6-7-18(29-20)22(25,26)27)12-28-21(31)14(2)16-4-3-5-17(23)19(16)24/h3-7,13-14H,8-12H2,1-2H3,(H,28,31)
InChIKeyVCGICGNTRKSXRC-UHFFFAOYSA-N
MW474.35 g/mol
LogP6.06
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 164620630) has the molecular formula C22H24Cl2F3N3O and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID164620630
Molecular FormulaC22H24Cl2F3N3O
Molecular Weight474.35 g/mol
Exact Mass473.12
IUPAC Name2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H24Cl2F3N3O/c1-13-8-10-30(11-9-13)20-15(6-7-18(29-20)22(25,26)27)12-28-21(31)14(2)16-4-3-5-17(23)19(16)24/h3-7,13-14H,8-12H2,1-2H3,(H,28,31)
InChIKeyVCGICGNTRKSXRC-UHFFFAOYSA-N
XLogP6.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 164620630) is 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is VCGICGNTRKSXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2F3N3O/c1-13-8-10-30(11-9-13)20-15(6-7-18(29-20)22(25,26)27)12-28-21(31)14(2)16-4-3-5-17(23)19(16)24/h3-7,13-14H,8-12H2,1-2H3,(H,28,31).
What are the key properties of 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 474.35 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 164620630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).