N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide

C15H13ClFNO3 — CID 75432259

IUPACN-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C15H13ClFNO3/c1-2-21-14-10(4-3-5-11(14)17)15(20)18-12-7-6-9(16)8-13(12)19/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyYWZNZCKLUXCHNC-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.84
Rot. Bonds4

About N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide

N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide (PubChem CID 75432259) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide
PubChem CID75432259
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide
SMILESCCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C15H13ClFNO3/c1-2-21-14-10(4-3-5-11(14)17)15(20)18-12-7-6-9(16)8-13(12)19/h3-8,19H,2H2,1H3,(H,18,20)
InChIKeyYWZNZCKLUXCHNC-UHFFFAOYSA-N
XLogP3.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
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-ethoxy-3-fluoro-N-pyrazin-2-ylbenzamide
CID 86794505
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
2-ethoxy-N-[2-(ethylamino)ethyl]-3-fluorobenzamide;hydrochloride
CID 119505079
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
4-[(2-ethoxy-3-fluorobenzoyl)amino]butanoic acid
CID 119170570
3-amino-N-(3-chloro-5-fluorophenyl)-2-ethoxybenzamide
CID 107363411
N-[(3-acetamidophenyl)methyl]-2-ethoxy-3-fluorobenzamide
CID 71995172
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 836677
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide (CID 75432259) is N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide is CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide?
The InChIKey is YWZNZCKLUXCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-2-21-14-10(4-3-5-11(14)17)15(20)18-12-7-6-9(16)8-13(12)19/h3-8,19H,2H2,1H3,(H,18,20).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide?
N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide has a molecular weight of 309.72 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2-ethoxy-3-fluorobenzamide is sourced from PubChem (CID 75432259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).