N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

C14H17Cl2NO3 — CID 103279698

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-2-20-10-3-8(4-10)5-13(18)17-12-7-9(15)6-11(16)14(12)19/h6-8,10,19H,2-5H2,1H3,(H,17,18)
InChIKeyVCLNFFCAVSBXFV-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.84
Rot. Bonds5

About N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide

N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103279698) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103279698
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-2-20-10-3-8(4-10)5-13(18)17-12-7-9(15)6-11(16)14(12)19/h6-8,10,19H,2-5H2,1H3,(H,17,18)
InChIKeyVCLNFFCAVSBXFV-UHFFFAOYSA-N
XLogP3.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
CID 107675651
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 114052575

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103279698) is N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is VCLNFFCAVSBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-2-20-10-3-8(4-10)5-13(18)17-12-7-9(15)6-11(16)14(12)19/h6-8,10,19H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 3.84, 5 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)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103279698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).