N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide

C13H15Cl2NO3 — CID 75437896

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c14-10-6-9(7-11(15)13(10)18)16-12(17)5-8-1-3-19-4-2-8/h6-8,18H,1-5H2,(H,16,17)
InChIKeyLWZFGFUDRCBFTI-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.45
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 75437896) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide
PubChem CID75437896
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c14-10-6-9(7-11(15)13(10)18)16-12(17)5-8-1-3-19-4-2-8/h6-8,18H,1-5H2,(H,16,17)
InChIKeyLWZFGFUDRCBFTI-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 107680442
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
CID 124565645
5-[[2-(oxan-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 115273633
2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide (CID 75437896) is N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is LWZFGFUDRCBFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-10-6-9(7-11(15)13(10)18)16-12(17)5-8-1-3-19-4-2-8/h6-8,18H,1-5H2,(H,16,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 304.17 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 75437896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).