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

C12H16ClNO3 — CID 115162783

IUPACN-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)CCCO
InChIInChI=1S/C12H16ClNO3/c1-8-6-11(17-2)10(7-9(8)13)14-12(16)4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyIZLQUPQUTLCOBS-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.37
Rot. Bonds5

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

N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide (PubChem CID 115162783) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
PubChem CID115162783
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)CCCO
InChIInChI=1S/C12H16ClNO3/c1-8-6-11(17-2)10(7-9(8)13)14-12(16)4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyIZLQUPQUTLCOBS-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(5-chloro-2-methoxy-4-methylphenyl)-3-cyanopropanamide
CID 115173505
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
CID 111630099
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide?
The IUPAC name of N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide (CID 115162783) is N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide is COc1cc(C)c(Cl)cc1NC(=O)CCCO.
What is the InChIKey of N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide?
The InChIKey is IZLQUPQUTLCOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-6-11(17-2)10(7-9(8)13)14-12(16)4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide?
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide has a molecular weight of 257.72 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 115162783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).