3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C19H20BrNO3 — CID 1311513

IUPAC3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br
InChIInChI=1S/C19H20BrNO3/c1-23-17-8-7-14(9-15(17)20)19(22)21-16-10-12-5-3-4-6-13(12)11-18(16)24-2/h7-11H,3-6H2,1-2H3,(H,21,22)
InChIKeyAWDHKTRQPYBPOL-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 1311513) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID1311513
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br
InChIInChI=1S/C19H20BrNO3/c1-23-17-8-7-14(9-15(17)20)19(22)21-16-10-12-5-3-4-6-13(12)11-18(16)24-2/h7-11H,3-6H2,1-2H3,(H,21,22)
InChIKeyAWDHKTRQPYBPOL-UHFFFAOYSA-N
XLogP4.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 1311513) is 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is AWDHKTRQPYBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-17-8-7-14(9-15(17)20)19(22)21-16-10-12-5-3-4-6-13(12)11-18(16)24-2/h7-11H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 390.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 1311513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).