3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide

C20H23Cl2NO3 — CID 19029342

IUPAC3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1cccc(CN(C)C(=O)CC(CCO)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H23Cl2NO3/c1-23(13-14-4-3-5-17(10-14)26-2)20(25)12-16(8-9-24)15-6-7-18(21)19(22)11-15/h3-7,10-11,16,24H,8-9,12-13H2,1-2H3
InChIKeyDJHRKYREWCSLGS-UHFFFAOYSA-N
MW396.31 g/mol
LogP4.52
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide

3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 19029342) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
PubChem CID19029342
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1cccc(CN(C)C(=O)CC(CCO)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H23Cl2NO3/c1-23(13-14-4-3-5-17(10-14)26-2)20(25)12-16(8-9-24)15-6-7-18(21)19(22)11-15/h3-7,10-11,16,24H,8-9,12-13H2,1-2H3
InChIKeyDJHRKYREWCSLGS-UHFFFAOYSA-N
XLogP4.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-5-hydroxy-N-(4-methoxyphenyl)-N-methylpentanamide
CID 19029316
2-(2-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112778891
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 112779333
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
CID 51935652
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
CID 140979180
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide (CID 19029342) is 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide is COc1cccc(CN(C)C(=O)CC(CCO)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is DJHRKYREWCSLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-23(13-14-4-3-5-17(10-14)26-2)20(25)12-16(8-9-24)15-6-7-18(21)19(22)11-15/h3-7,10-11,16,24H,8-9,12-13H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide?
3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 396.31 g/mol, XLogP of 4.52, 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)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 19029342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).