N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide

C15H14N2O4 — CID 102740871

IUPACN-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H14N2O4/c1-2-10-5-3-6-11(9-10)16-15(19)12-7-4-8-13(14(12)18)17(20)21/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyFWEDPCMNKCSTRC-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.12
Rot. Bonds4

About N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide

N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 102740871) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID102740871
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H14N2O4/c1-2-10-5-3-6-11(9-10)16-15(19)12-7-4-8-13(14(12)18)17(20)21/h3-9,18H,2H2,1H3,(H,16,19)
InChIKeyFWEDPCMNKCSTRC-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-(3-ethylanilino)-3-nitrobenzoic acid
CID 115932132
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
(2,4,6-trinitrophenyl) N-(3-ethylphenyl)carbamate
CID 46501916
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-nitrobenzamide
CID 43912124
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-nitrobenzamide
CID 43068636

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide (CID 102740871) is N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide is CCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is FWEDPCMNKCSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-10-5-3-6-11(9-10)16-15(19)12-7-4-8-13(14(12)18)17(20)21/h3-9,18H,2H2,1H3,(H,16,19).
What are the key properties of N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide?
N-(3-ethylphenyl)-2-hydroxy-3-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 N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 102740871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).