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

C15H16BrN3O — CID 5309546

IUPACN-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c16-12-6-2-4-8-14(12)17-15(20)10-19-9-11-5-1-3-7-13(11)18-19/h2,4,6,8-9H,1,3,5,7,10H2,(H,17,20)
InChIKeyLQCAYZNOICPVFL-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.16
Rot. Bonds3

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

N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309546) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309546
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c16-12-6-2-4-8-14(12)17-15(20)10-19-9-11-5-1-3-7-13(11)18-19/h2,4,6,8-9H,1,3,5,7,10H2,(H,17,20)
InChIKeyLQCAYZNOICPVFL-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 126457056
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
CID 20887528
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
ethyl 3-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]benzoate
CID 20892436
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892336
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N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 46261613
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309546) is N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is LQCAYZNOICPVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-12-6-2-4-8-14(12)17-15(20)10-19-9-11-5-1-3-7-13(11)18-19/h2,4,6,8-9H,1,3,5,7,10H2,(H,17,20).
What are the key properties of N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 334.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).