4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide

C15H14N2O4 — CID 16728373

IUPAC4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-5-11(6-4-10)15(19)16-13-8-7-12(17(20)21)9-14(13)18/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyAFTITTSTOLBZRG-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.12
Rot. Bonds4

About 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide

4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide (PubChem CID 16728373) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide
PubChem CID16728373
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide
SMILESCCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-5-11(6-4-10)15(19)16-13-8-7-12(17(20)21)9-14(13)18/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyAFTITTSTOLBZRG-UHFFFAOYSA-N
XLogP3.12
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2'-Hydroxy-4-nitrobenzanilide
CID 3090023
N-(3-hydroxyphenyl)-2-nitrobenzamide
CID 976723
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 3375236
N-(2-hydroxy-5-nitrophenyl)-3-nitrobenzamide
CID 3090473
2-hydroxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 11254734
2'-Hydroxy-4'-nitrobenzanilide
CID 3431797
N-(2-hydroxy-4,5-dimethylphenyl)-3-nitrobenzamide
CID 3142802
N-(2-hydroxy-4-nitrophenyl)-N'-(2-ethylphenyl)urea
CID 21184795
N-(2-Hydroxyphenyl)benzamide
CID 231766
N-(2-methoxy-4-nitrophenyl)-2-phenylacetamide
CID 307332
2-Hydroxy-N-(4-nitrophenyl)benzamide
CID 478811
Benzamide, N-(2,5-dimethylphenyl)-2-hydroxy-3-nitro-
CID 45953

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide (CID 16728373) is 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide is CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
The InChIKey is AFTITTSTOLBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-10-3-5-11(6-4-10)15(19)16-13-8-7-12(17(20)21)9-14(13)18/h3-9,18H,2H2,1H3,(H,16,19).
What are the key properties of 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide?
4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 16728373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).