2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

C16H18ClN3O2 — CID 126783698

IUPAC2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
SMILESO=C(COCc1ccccc1Cl)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-11(14)9-22-10-16(21)19-13-5-6-15-12(7-13)8-18-20-15/h1-4,8,13H,5-7,9-10H2,(H,18,20)(H,19,21)
InChIKeySKWBLHBBKUWATI-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.25
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide

2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (PubChem CID 126783698) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
PubChem CID126783698
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
SMILESO=C(COCc1ccccc1Cl)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-11(14)9-22-10-16(21)19-13-5-6-15-12(7-13)8-18-20-15/h1-4,8,13H,5-7,9-10H2,(H,18,20)(H,19,21)
InChIKeySKWBLHBBKUWATI-UHFFFAOYSA-N
XLogP2.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide (CID 126783698) is 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is O=C(COCc1ccccc1Cl)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
The InChIKey is SKWBLHBBKUWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-14-4-2-1-3-11(14)9-22-10-16(21)19-13-5-6-15-12(7-13)8-18-20-15/h1-4,8,13H,5-7,9-10H2,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide?
2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide is sourced from PubChem (CID 126783698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).