3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide

C17H17Cl2NO3 — CID 100599366

IUPAC3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-22-15-8-6-11(10-16(15)23-2)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyFMQXVLQVDDUBLE-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.58
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide

3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 100599366) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID100599366
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-22-15-8-6-11(10-16(15)23-2)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21)
InChIKeyFMQXVLQVDDUBLE-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide (CID 100599366) is 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is FMQXVLQVDDUBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-22-15-8-6-11(10-16(15)23-2)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-6,8,10H,7,9H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 354.23 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 100599366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).