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

C16H17BrFN3O — CID 20892371

IUPACN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)Nc3ccc(Br)cc3F)cc2C1
InChIInChI=1S/C16H17BrFN3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22)
InChIKeyBIPTVKVFVHBHNA-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.55
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892371) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892371
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)Nc3ccc(Br)cc3F)cc2C1
InChIInChI=1S/C16H17BrFN3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22)
InChIKeyBIPTVKVFVHBHNA-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892385
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23990402
N-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401150
1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721076
N-(4-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104977127
2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119909893
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119905456
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 11940567
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
N-(4-bromo-2-fluorophenyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19527026

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892371) is N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCc2nn(CC(=O)Nc3ccc(Br)cc3F)cc2C1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is BIPTVKVFVHBHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).