N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide

C15H22ClNO3 — CID 54785381

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-4-5-6-7-15(18)17-10-11-8-13(19-2)14(20-3)9-12(11)16/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyBGFMDMSZXORQJT-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.55
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide (PubChem CID 54785381) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
PubChem CID54785381
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-4-5-6-7-15(18)17-10-11-8-13(19-2)14(20-3)9-12(11)16/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyBGFMDMSZXORQJT-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(2-chloro-4,5-dimethoxyphenyl)methyl]octanediamide
CID 54786049
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791261
4-[(2-chloro-4,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid
CID 54785552
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-2-pentoxybenzamide
CID 54785731
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-tert-butyl-2-[5-chloro-2-methoxy-4-[(octylamino)methyl]phenoxy]acetamide
CID 66529702
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide
CID 54785354
4-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]butanamide
CID 119316746

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide (CID 54785381) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide is CCCCCC(=O)NCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide?
The InChIKey is BGFMDMSZXORQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-5-6-7-15(18)17-10-11-8-13(19-2)14(20-3)9-12(11)16/h8-9H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide has a molecular weight of 299.80 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide is sourced from PubChem (CID 54785381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).