N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide

C17H17BrClNO3 — CID 28580588

IUPACN-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17BrClNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-12-5-6-13(18)14(19)10-12/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)
InChIKeyRAIHNITVVJRGQC-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.69
Rot. Bonds6

About N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 28580588) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID28580588
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C17H17BrClNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-12-5-6-13(18)14(19)10-12/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)
InChIKeyRAIHNITVVJRGQC-UHFFFAOYSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 28580588) is N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is RAIHNITVVJRGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-12-5-6-13(18)14(19)10-12/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 398.68 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 28580588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).