3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide

C15H14N2O5 — CID 17342365

IUPAC3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H14N2O5/c1-2-22-12-5-3-4-10(8-12)15(19)16-13-9-11(17(20)21)6-7-14(13)18/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyBEXBPQPTAWWMCZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.95
Rot. Bonds5

About 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide

3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide (PubChem CID 17342365) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
PubChem CID17342365
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H14N2O5/c1-2-22-12-5-3-4-10(8-12)15(19)16-13-9-11(17(20)21)6-7-14(13)18/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyBEXBPQPTAWWMCZ-UHFFFAOYSA-N
XLogP2.95
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741732
3-amino-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 107744509
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
CID 7925385
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
methyl 3-[(2-hydroxy-5-nitrophenyl)carbamothioylcarbamoyl]benzoate
CID 17175537
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 17342490
methyl 3-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108799749

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide (CID 17342365) is 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide is CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide?
The InChIKey is BEXBPQPTAWWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-2-22-12-5-3-4-10(8-12)15(19)16-13-9-11(17(20)21)6-7-14(13)18/h3-9,18H,2H2,1H3,(H,16,19).
What are the key properties of 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide?
3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide has a molecular weight of 302.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 17342365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).