2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide

C21H24Cl2N2O2 — CID 86716340

IUPAC2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide
SMILESCC(C)(O)c1ccc(C(CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1
InChIInChI=1S/C21H24Cl2N2O2/c1-21(2,27)18-9-8-14(11-24-18)15(10-13-6-7-13)12-25-20(26)16-4-3-5-17(22)19(16)23/h3-5,8-9,11,13,15,27H,6-7,10,12H2,1-2H3,(H,25,26)
InChIKeyMUSDXSPOJRSLLA-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.93
Rot. Bonds7

About 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide

2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide (PubChem CID 86716340) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide
PubChem CID86716340
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide
SMILESCC(C)(O)c1ccc(C(CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1
InChIInChI=1S/C21H24Cl2N2O2/c1-21(2,27)18-9-8-14(11-24-18)15(10-13-6-7-13)12-25-20(26)16-4-3-5-17(22)19(16)23/h3-5,8-9,11,13,15,27H,6-7,10,12H2,1-2H3,(H,25,26)
InChIKeyMUSDXSPOJRSLLA-UHFFFAOYSA-N
XLogP4.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide (CID 86716340) is 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide is CC(C)(O)c1ccc(C(CNC(=O)c2cccc(Cl)c2Cl)CC2CC2)cn1.
What is the InChIKey of 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide?
The InChIKey is MUSDXSPOJRSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-21(2,27)18-9-8-14(11-24-18)15(10-13-6-7-13)12-25-20(26)16-4-3-5-17(22)19(16)23/h3-5,8-9,11,13,15,27H,6-7,10,12H2,1-2H3,(H,25,26).
What are the key properties of 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide?
2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide has a molecular weight of 407.34 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-cyclopropyl-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]propyl]benzamide is sourced from PubChem (CID 86716340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).