N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H20BrN3O — CID 20892385

IUPACN-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc3c(n2)CCC(C)C3)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-3-6-16-13(7-11)9-21(20-16)10-17(22)19-14-4-5-15(18)12(2)8-14/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,22)
InChIKeyLRNWMMRJPNDHMK-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.72
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892385) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892385
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc3c(n2)CCC(C)C3)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-3-6-16-13(7-11)9-21(20-16)10-17(22)19-14-4-5-15(18)12(2)8-14/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,22)
InChIKeyLRNWMMRJPNDHMK-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892371
N-(3,4-dimethylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892314
N-butan-2-yl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5308018
N-(3,5-dimethylphenyl)-2-[(6S)-6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl]acetamide
CID 92714761
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 61236329
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
ethyl 3-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]benzoate
CID 20892436

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892385) is N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1cc(NC(=O)Cn2cc3c(n2)CCC(C)C3)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is LRNWMMRJPNDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-3-6-16-13(7-11)9-21(20-16)10-17(22)19-14-4-5-15(18)12(2)8-14/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).