N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide

C13H18ClNO3 — CID 79199515

IUPACN-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCCCO)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-2-18-12-7-6-10(9-11(12)14)15-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyVRONCVKWZPGVDP-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.84
Rot. Bonds7

About N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide

N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide (PubChem CID 79199515) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
PubChem CID79199515
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCCCO)cc1Cl
InChIInChI=1S/C13H18ClNO3/c1-2-18-12-7-6-10(9-11(12)14)15-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyVRONCVKWZPGVDP-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide 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-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide (CID 79199515) is N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide is CCOc1ccc(NC(=O)CCCCO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide?
The InChIKey is VRONCVKWZPGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-18-12-7-6-10(9-11(12)14)15-13(17)5-3-4-8-16/h6-7,9,16H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide?
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide has a molecular weight of 271.74 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79199515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).