N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide

C18H18BrNO2 — CID 66663510

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C18H18BrNO2/c1-22-17-8-4-12(5-9-17)18(21)20-16-7-3-13-10-15(19)6-2-14(13)11-16/h2,4-6,8-10,16H,3,7,11H2,1H3,(H,20,21)
InChIKeyOETOHAQSBPKTOQ-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.74
Rot. Bonds3

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide (PubChem CID 66663510) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
PubChem CID66663510
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCc3cc(Br)ccc3C2)cc1
InChIInChI=1S/C18H18BrNO2/c1-22-17-8-4-12(5-9-17)18(21)20-16-7-3-13-10-15(19)6-2-14(13)11-16/h2,4-6,8-10,16H,3,7,11H2,1H3,(H,20,21)
InChIKeyOETOHAQSBPKTOQ-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
6-bromo-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627261
6-bromo-N-(4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627297
6-bromo-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627115
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3,5-dimethylpyridine-2-carboxamide
CID 136529903
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
4-hydroxy-N-[6-(1-hydroxyethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 123242352
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide (CID 66663510) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCc3cc(Br)ccc3C2)cc1.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide?
The InChIKey is OETOHAQSBPKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-22-17-8-4-12(5-9-17)18(21)20-16-7-3-13-10-15(19)6-2-14(13)11-16/h2,4-6,8-10,16H,3,7,11H2,1H3,(H,20,21).
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide has a molecular weight of 360.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 66663510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).