2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide

C17H16ClN3O2 — CID 110769468

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide
SMILESCOc1c(C)cc(Cl)cc1CC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16ClN3O2/c1-10-5-13(18)6-12(17(10)23-2)7-16(22)20-14-4-3-11-9-19-21-15(11)8-14/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRBUAKLZOEXIRIC-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.71
Rot. Bonds4

About 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide

2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide (PubChem CID 110769468) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide
PubChem CID110769468
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide
SMILESCOc1c(C)cc(Cl)cc1CC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16ClN3O2/c1-10-5-13(18)6-12(17(10)23-2)7-16(22)20-14-4-3-11-9-19-21-15(11)8-14/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRBUAKLZOEXIRIC-UHFFFAOYSA-N
XLogP3.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980
2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide (CID 110769468) is 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide is COc1c(C)cc(Cl)cc1CC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide?
The InChIKey is RBUAKLZOEXIRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-5-13(18)6-12(17(10)23-2)7-16(22)20-14-4-3-11-9-19-21-15(11)8-14/h3-6,8-9H,7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide?
2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 110769468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).