N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide

C13H18ClNO3 — CID 79018979

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCCCO
InChIInChI=1S/C13H18ClNO3/c1-9-7-11(12(18-2)8-10(9)14)15-13(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyUFCDMQLGCUSWPL-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.76
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide (PubChem CID 79018979) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
PubChem CID79018979
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCCCO
InChIInChI=1S/C13H18ClNO3/c1-9-7-11(12(18-2)8-10(9)14)15-13(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyUFCDMQLGCUSWPL-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
CID 111630099
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide (CID 79018979) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide is COc1cc(Cl)c(C)cc1NC(=O)CCCCO.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide?
The InChIKey is UFCDMQLGCUSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9-7-11(12(18-2)8-10(9)14)15-13(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide has a molecular weight of 271.74 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79018979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).