N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide

C17H15BrFNO2 — CID 86832844

IUPACN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1F
InChIInChI=1S/C17H15BrFNO2/c1-22-16-7-3-11(9-14(16)19)17(21)20-15-6-2-10-8-12(18)4-5-13(10)15/h3-5,7-9,15H,2,6H2,1H3,(H,20,21)
InChIKeyYXPYEFKUJNJMES-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.01
Rot. Bonds3

About N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 86832844) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
PubChem CID86832844
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1F
InChIInChI=1S/C17H15BrFNO2/c1-22-16-7-3-11(9-14(16)19)17(21)20-15-6-2-10-8-12(18)4-5-13(10)15/h3-5,7-9,15H,2,6H2,1H3,(H,20,21)
InChIKeyYXPYEFKUJNJMES-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673094
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide (CID 86832844) is N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1F.
What is the InChIKey of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is YXPYEFKUJNJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-22-16-7-3-11(9-14(16)19)17(21)20-15-6-2-10-8-12(18)4-5-13(10)15/h3-5,7-9,15H,2,6H2,1H3,(H,20,21).
What are the key properties of N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide?
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 364.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 86832844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).