3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide

C20H23Cl2NO3 — CID 100597392

IUPAC3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23Cl2NO3/c1-4-17(14-7-9-18(25-2)19(12-14)26-3)23-20(24)10-6-13-5-8-15(21)16(22)11-13/h5,7-9,11-12,17H,4,6,10H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyHXKKKABQYCFLEX-QGZVFWFLSA-N
MW396.31 g/mol
LogP5.21
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide

3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide (PubChem CID 100597392) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
PubChem CID100597392
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23Cl2NO3/c1-4-17(14-7-9-18(25-2)19(12-14)26-3)23-20(24)10-6-13-5-8-15(21)16(22)11-13/h5,7-9,11-12,17H,4,6,10H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyHXKKKABQYCFLEX-QGZVFWFLSA-N
XLogP5.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrobromide
CID 67865145
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 100597850
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide (CID 100597392) is 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide is CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide?
The InChIKey is HXKKKABQYCFLEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-4-17(14-7-9-18(25-2)19(12-14)26-3)23-20(24)10-6-13-5-8-15(21)16(22)11-13/h5,7-9,11-12,17H,4,6,10H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide has a molecular weight of 396.31 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 100597392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).