N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide

C17H18BrNO3 — CID 43874047

IUPACN-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-11(12-4-7-14(18)8-5-12)19-17(20)13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyJRZKMNAREGMXGV-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.96
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide

N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 43874047) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
PubChem CID43874047
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-11(12-4-7-14(18)8-5-12)19-17(20)13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyJRZKMNAREGMXGV-UHFFFAOYSA-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

3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide (CID 43874047) is N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is JRZKMNAREGMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11(12-4-7-14(18)8-5-12)19-17(20)13-6-9-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide?
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide 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-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 43874047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).