N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide

C15H14N2O4 — CID 102740891

IUPACN-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
SMILESCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O4/c1-9-4-3-5-13(10(9)2)16-15(19)12-8-11(18)6-7-14(12)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyZBDSEIRBSDLKDP-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.17
Rot. Bonds3

About N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide

N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide (PubChem CID 102740891) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
PubChem CID102740891
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
SMILESCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O4/c1-9-4-3-5-13(10(9)2)16-15(19)12-8-11(18)6-7-14(12)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyZBDSEIRBSDLKDP-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872989
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
1-N,3-N-bis(2,3-dimethylphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 3379154
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
CID 102741517
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
N-(3-ethynylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740276

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide (CID 102740891) is N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide is Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is ZBDSEIRBSDLKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-4-3-5-13(10(9)2)16-15(19)12-8-11(18)6-7-14(12)17(20)21/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide?
N-(2,3-dimethylphenyl)-5-hydroxy-2-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-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102740891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).