N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide

C15H14ClNO3 — CID 2953683

IUPACN-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c1-2-20-14-6-4-3-5-11(14)15(19)17-12-9-10(16)7-8-13(12)18/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyYEFGGTAFRZXAOF-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.70
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide

N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide (PubChem CID 2953683) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide
PubChem CID2953683
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c1-2-20-14-6-4-3-5-11(14)15(19)17-12-9-10(16)7-8-13(12)18/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyYEFGGTAFRZXAOF-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide (CID 2953683) is N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide?
The InChIKey is YEFGGTAFRZXAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-20-14-6-4-3-5-11(14)15(19)17-12-9-10(16)7-8-13(12)18/h3-9,18H,2H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide?
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide is sourced from PubChem (CID 2953683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).