5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide

C16H20ClNO4 — CID 154737124

IUPAC5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ccc2O)C12CCCO2
InChIInChI=1S/C16H20ClNO4/c1-2-21-14-9-13(16(14)6-3-7-22-16)18-15(20)11-8-10(17)4-5-12(11)19/h4-5,8,13-14,19H,2-3,6-7,9H2,1H3,(H,18,20)
InChIKeyDMNZURRRUBAXNC-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide

5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide (PubChem CID 154737124) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide
PubChem CID154737124
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ccc2O)C12CCCO2
InChIInChI=1S/C16H20ClNO4/c1-2-21-14-9-13(16(14)6-3-7-22-16)18-15(20)11-8-10(17)4-5-12(11)19/h4-5,8,13-14,19H,2-3,6-7,9H2,1H3,(H,18,20)
InChIKeyDMNZURRRUBAXNC-UHFFFAOYSA-N
XLogP2.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3R,4R)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-4-methoxybenzamide
CID 98878466
1-benzyl-3-[(1R,3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-1-methylurea
CID 125137737
1-benzyl-3-[(1S,3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-1-methylurea
CID 125137735
1-[(1S,3R,4R)-3-ethoxy-5-oxaspiro[3.4]octan-1-yl]-3-(2-thiophen-2-ylethyl)urea
CID 125137683
3-[(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)carbamoyl-methylamino]propanoic acid
CID 122009899
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187
5-chloro-2-hydroxy-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
CID 5276301
5-chloro-N-cyclopent-3-en-1-yl-2-hydroxybenzamide
CID 115696810
5-chloro-2-hydroxy-N-(2-oxooxolan-3-yl)benzamide
CID 43824572
5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide
CID 99989761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide (CID 154737124) is 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide is CCOC1CC(NC(=O)c2cc(Cl)ccc2O)C12CCCO2.
What is the InChIKey of 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide?
The InChIKey is DMNZURRRUBAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-2-21-14-9-13(16(14)6-3-7-22-16)18-15(20)11-8-10(17)4-5-12(11)19/h4-5,8,13-14,19H,2-3,6-7,9H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide?
5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide has a molecular weight of 325.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxy-5-oxaspiro[3.4]octan-1-yl)-2-hydroxybenzamide is sourced from PubChem (CID 154737124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).