N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide

C15H14N2O4 — CID 103863236

IUPACN-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C
InChIInChI=1S/C15H14N2O4/c1-9-4-3-5-12(10(9)2)15(19)16-13-8-11(17(20)21)6-7-14(13)18/h3-8,18H,1-2H3,(H,16,19)
InChIKeyMRXTUZRBNBVNRW-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.17
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide

N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide (PubChem CID 103863236) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
PubChem CID103863236
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C
InChIInChI=1S/C15H14N2O4/c1-9-4-3-5-12(10(9)2)15(19)16-13-8-11(17(20)21)6-7-14(13)18/h3-8,18H,1-2H3,(H,16,19)
InChIKeyMRXTUZRBNBVNRW-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': '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

2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide (CID 103863236) is N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide?
The InChIKey is MRXTUZRBNBVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-4-3-5-12(10(9)2)15(19)16-13-8-11(17(20)21)6-7-14(13)18/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide?
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide 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-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 103863236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).