N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide

C15H14N2O4 — CID 5230659

IUPACN-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
SMILESCc1c(O)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C15H14N2O4/c1-9-10(2)14(18)8-7-13(9)16-15(19)11-3-5-12(6-4-11)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeySRSKCLFYEWYYHT-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.17
Rot. Bonds3

About N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide

N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide (PubChem CID 5230659) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
PubChem CID5230659
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
SMILESCc1c(O)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C15H14N2O4/c1-9-10(2)14(18)8-7-13(9)16-15(19)11-3-5-12(6-4-11)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeySRSKCLFYEWYYHT-UHFFFAOYSA-N
XLogP3.17
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.17
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

2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533
N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-nitrobenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyphenyl]-4-nitrobenzamide
CID 5122238
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide (CID 5230659) is N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide is Cc1c(O)ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide?
The InChIKey is SRSKCLFYEWYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-10(2)14(18)8-7-13(9)16-15(19)11-3-5-12(6-4-11)17(20)21/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide?
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 5230659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).