4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide

C15H14N2O4 — CID 141413648

IUPAC4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-8-13(14(9-10)17(20)21)15(19)16-11-4-6-12(18)7-5-11/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyOYXXCDAGEXXLGM-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.12
Rot. Bonds4

About 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide

4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide (PubChem CID 141413648) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide
PubChem CID141413648
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-8-13(14(9-10)17(20)21)15(19)16-11-4-6-12(18)7-5-11/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyOYXXCDAGEXXLGM-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': 'hydroquinone', '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

methyl 4-[(4-ethylphenyl)carbamoyl]-3-nitrobenzoate
CID 175595021
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
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4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
ethyl 4-[(2,4-dinitrobenzoyl)amino]benzoate
CID 3102908
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
2-bromo-1-(4-ethyl-2-nitrophenyl)propan-1-one
CID 134618990
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide?
The IUPAC name of 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide (CID 141413648) is 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide is CCc1ccc(C(=O)Nc2ccc(O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide?
The InChIKey is OYXXCDAGEXXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-10-3-8-13(14(9-10)17(20)21)15(19)16-11-4-6-12(18)7-5-11/h3-9,18H,2H2,1H3,(H,16,19).
What are the key properties of 4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide?
4-ethyl-N-(4-hydroxyphenyl)-2-nitrobenzamide 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-(4-hydroxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 141413648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).