2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C17H20ClN3O2 — CID 56731318

IUPAC2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C17H20ClN3O2/c1-11(23-16-9-4-3-6-13(16)18)17(22)20-14-7-5-8-15-12(14)10-19-21(15)2/h3-4,6,9-11,14H,5,7-8H2,1-2H3,(H,20,22)
InChIKeyDGFZQLFANQELKD-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 56731318) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID56731318
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C17H20ClN3O2/c1-11(23-16-9-4-3-6-13(16)18)17(22)20-14-7-5-8-15-12(14)10-19-21(15)2/h3-4,6,9-11,14H,5,7-8H2,1-2H3,(H,20,22)
InChIKeyDGFZQLFANQELKD-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94442452
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81377325
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 43712088
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 56731318) is 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is CC(Oc1ccccc1Cl)C(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is DGFZQLFANQELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(23-16-9-4-3-6-13(16)18)17(22)20-14-7-5-8-15-12(14)10-19-21(15)2/h3-4,6,9-11,14H,5,7-8H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 56731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).