3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

C17H18BrNO3 — CID 1323549

IUPAC3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBMZUIVUEUHOBLZ-LLVKDONJSA-N
MW364.24 g/mol
LogP3.96
Rot. Bonds5

About 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide

3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 1323549) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID1323549
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyBMZUIVUEUHOBLZ-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

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25237075
N-[(1S)-1-(2-bromo-4,5-diethoxyphenyl)ethyl]-3-methoxybenzamide
CID 1008434

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide (CID 1323549) is 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is BMZUIVUEUHOBLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide?
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide 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 3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 1323549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).