N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide

C12H15Cl2NO3 — CID 103891151

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-5-3-4-11(16)15-10-7-8(13)6-9(14)12(10)17/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyHAZWVXFXLVPOPK-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.45
Rot. Bonds6

About N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide

N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide (PubChem CID 103891151) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
PubChem CID103891151
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H15Cl2NO3/c1-2-18-5-3-4-11(16)15-10-7-8(13)6-9(14)12(10)17/h6-7,17H,2-5H2,1H3,(H,15,16)
InChIKeyHAZWVXFXLVPOPK-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3,5-dichloro-2-hydroxyphenyl)-4,4,4-trifluorobutanamide
CID 104625918
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
4-ethoxy-N-phenylbutanamide
CID 112728021

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide (CID 103891151) is N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide?
The InChIKey is HAZWVXFXLVPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-2-18-5-3-4-11(16)15-10-7-8(13)6-9(14)12(10)17/h6-7,17H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide?
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide has a molecular weight of 292.16 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide is sourced from PubChem (CID 103891151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).