2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide

C16H14ClN3O2 — CID 17165456

IUPAC2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3[nH]ncc3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-10-6-13(3-4-14(10)17)22-9-16(21)19-12-2-5-15-11(7-12)8-18-20-15/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYQBIULQWKITYPO-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide (PubChem CID 17165456) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
PubChem CID17165456
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3[nH]ncc3c2)ccc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-10-6-13(3-4-14(10)17)22-9-16(21)19-12-2-5-15-11(7-12)8-18-20-15/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyYQBIULQWKITYPO-UHFFFAOYSA-N
XLogP3.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide (CID 17165456) is 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3[nH]ncc3c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide?
The InChIKey is YQBIULQWKITYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-6-13(3-4-14(10)17)22-9-16(21)19-12-2-5-15-11(7-12)8-18-20-15/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 17165456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).