N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide

C17H18BrNO3 — CID 9341227

IUPACN-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-21-15-8-6-12(10-16(15)22-2)7-9-17(20)19-14-5-3-4-13(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyQXLVTLBZNGPLBX-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.04
Rot. Bonds6

About N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 9341227) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID9341227
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1OC
InChIInChI=1S/C17H18BrNO3/c1-21-15-8-6-12(10-16(15)22-2)7-9-17(20)19-14-5-3-4-13(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyQXLVTLBZNGPLBX-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 9341227) is N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1OC.
What is the InChIKey of N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is QXLVTLBZNGPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-21-15-8-6-12(10-16(15)22-2)7-9-17(20)19-14-5-3-4-13(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 364.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 9341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).