2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C17H20ClN3O2 — CID 94442452

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCn1ncc2c1CCC[C@H]2NC(=O)COCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21-16-8-4-7-15(13(16)9-19-21)20-17(22)11-23-10-12-5-2-3-6-14(12)18/h2-3,5-6,9,15H,4,7-8,10-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyPPSPPBPLOWXBCQ-OAHLLOKOSA-N
MW333.82 g/mol
LogP2.78
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 94442452) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID94442452
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCn1ncc2c1CCC[C@H]2NC(=O)COCc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-21-16-8-4-7-15(13(16)9-19-21)20-17(22)11-23-10-12-5-2-3-6-14(12)18/h2-3,5-6,9,15H,4,7-8,10-11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyPPSPPBPLOWXBCQ-OAHLLOKOSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide with MolForge

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Related Compounds

2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
2-[(2-chlorophenyl)methoxy]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138698

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 94442452) is 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is Cn1ncc2c1CCC[C@H]2NC(=O)COCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is PPSPPBPLOWXBCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21-16-8-4-7-15(13(16)9-19-21)20-17(22)11-23-10-12-5-2-3-6-14(12)18/h2-3,5-6,9,15H,4,7-8,10-11H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 94442452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).