2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide

C20H18BrNO3 — CID 95367204

IUPAC2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC[C@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H18BrNO3/c1-25-14-9-10-18(21)17(11-14)20(24)22-12-19(23)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,19,23H,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyOQDFIRHDRVLQEO-IBGZPJMESA-N
MW400.27 g/mol
LogP4.07
Rot. Bonds5

About 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide

2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide (PubChem CID 95367204) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
PubChem CID95367204
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC[C@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H18BrNO3/c1-25-14-9-10-18(21)17(11-14)20(24)22-12-19(23)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,19,23H,12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyOQDFIRHDRVLQEO-IBGZPJMESA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
CID 90497307
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide (CID 95367204) is 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC[C@H](O)c2cccc3ccccc23)c1.
What is the InChIKey of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide?
The InChIKey is OQDFIRHDRVLQEO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-25-14-9-10-18(21)17(11-14)20(24)22-12-19(23)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,19,23H,12H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide?
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide has a molecular weight of 400.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide is sourced from PubChem (CID 95367204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).