N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H18ClN3O — CID 5307659

IUPACN-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-13(17)8-15(11)18-16(21)10-20-9-12-4-2-3-5-14(12)19-20/h6-9H,2-5,10H2,1H3,(H,18,21)
InChIKeyGEKASRWHFBJQTG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307659) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307659
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-13(17)8-15(11)18-16(21)10-20-9-12-4-2-3-5-14(12)19-20/h6-9H,2-5,10H2,1H3,(H,18,21)
InChIKeyGEKASRWHFBJQTG-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307659) is N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is GEKASRWHFBJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-7-13(17)8-15(11)18-16(21)10-20-9-12-4-2-3-5-14(12)19-20/h6-9H,2-5,10H2,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).