2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C16H18ClN3O — CID 90613758

IUPAC2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ncc2c1CCCC2)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c17-14-7-3-2-6-13(14)16(21)18-9-10-20-15-8-4-1-5-12(15)11-19-20/h2-3,6-7,11H,1,4-5,8-10H2,(H,18,21)
InChIKeyITOGXQYVMAJRPU-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90613758) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90613758
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ncc2c1CCCC2)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c17-14-7-3-2-6-13(14)16(21)18-9-10-20-15-8-4-1-5-12(15)11-19-20/h2-3,6-7,11H,1,4-5,8-10H2,(H,18,21)
InChIKeyITOGXQYVMAJRPU-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
CID 90613755
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90613797
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]oxane-4-carboxamide
CID 90613860
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90613758) is 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is O=C(NCCn1ncc2c1CCCC2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is ITOGXQYVMAJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-7-3-2-6-13(14)16(21)18-9-10-20-15-8-4-1-5-12(15)11-19-20/h2-3,6-7,11H,1,4-5,8-10H2,(H,18,21).
What are the key properties of 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90613758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).