N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide

C17H18BrNO3 — CID 8962855

IUPACN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H18BrNO3/c1-11(13-6-9-16(22-3)15(18)10-13)19-17(20)12-4-7-14(21-2)8-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyKFPWOBBOTSLPJM-LLVKDONJSA-N
MW364.24 g/mol
LogP3.96
Rot. Bonds5

About N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 8962855) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID8962855
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C17H18BrNO3/c1-11(13-6-9-16(22-3)15(18)10-13)19-17(20)12-4-7-14(21-2)8-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyKFPWOBBOTSLPJM-LLVKDONJSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763516
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 1008408
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide (CID 8962855) is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is KFPWOBBOTSLPJM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11(13-6-9-16(22-3)15(18)10-13)19-17(20)12-4-7-14(21-2)8-5-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide?
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 8962855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).