N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide

C20H23Cl2NO2 — CID 139707525

IUPACN-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide
SMILESCN(Cc1ccccc1)C(=O)C(CCCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-23(14-15-7-3-2-4-8-15)20(25)17(9-5-6-12-24)16-10-11-18(21)19(22)13-16/h2-4,7-8,10-11,13,17,24H,5-6,9,12,14H2,1H3
InChIKeyUFTDZEKZQHSNIK-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.90
Rot. Bonds8

About N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide

N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide (PubChem CID 139707525) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide
PubChem CID139707525
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC NameN-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide
SMILESCN(Cc1ccccc1)C(=O)C(CCCCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-23(14-15-7-3-2-4-8-15)20(25)17(9-5-6-12-24)16-10-11-18(21)19(22)13-16/h2-4,7-8,10-11,13,17,24H,5-6,9,12,14H2,1H3
InChIKeyUFTDZEKZQHSNIK-UHFFFAOYSA-N
XLogP4.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3,4-dichlorophenyl)-N-methyl-4-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)butanamide
CID 19921721
2-(3,4-dichlorophenyl)hexanoic acid
CID 18626644
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 19029342
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
ethyl 3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-2-(3,4-dichlorophenyl)propanoate
CID 68870481
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886
N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide?
The IUPAC name of N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide (CID 139707525) is N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide.
What is the SMILES notation for N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide?
The canonical SMILES for N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide is CN(Cc1ccccc1)C(=O)C(CCCCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide?
The InChIKey is UFTDZEKZQHSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-23(14-15-7-3-2-4-8-15)20(25)17(9-5-6-12-24)16-10-11-18(21)19(22)13-16/h2-4,7-8,10-11,13,17,24H,5-6,9,12,14H2,1H3.
What are the key properties of N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide?
N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide has a molecular weight of 380.32 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide is sourced from PubChem (CID 139707525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).