N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide

C18H18N2O4 — CID 167080558

IUPACN-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C2CCC2)c1
InChIInChI=1S/C18H18N2O4/c1-11-5-8-17(21)15(9-11)18(22)19-16-7-6-13(20(23)24)10-14(16)12-3-2-4-12/h5-10,12,21H,2-4H2,1H3,(H,19,22)
InChIKeyAVYJERSYNYRIPB-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.13
Rot. Bonds4

About N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide

N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide (PubChem CID 167080558) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide
PubChem CID167080558
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C2CCC2)c1
InChIInChI=1S/C18H18N2O4/c1-11-5-8-17(21)15(9-11)18(22)19-16-7-6-13(20(23)24)10-14(16)12-3-2-4-12/h5-10,12,21H,2-4H2,1H3,(H,19,22)
InChIKeyAVYJERSYNYRIPB-UHFFFAOYSA-N
XLogP4.13
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.13
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

2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2-cyclopropyl-4-nitrophenol
CID 58858109
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
2-hydroxy-5-nitro-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 141401924
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide (CID 167080558) is N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C2CCC2)c1.
What is the InChIKey of N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is AVYJERSYNYRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-5-8-17(21)15(9-11)18(22)19-16-7-6-13(20(23)24)10-14(16)12-3-2-4-12/h5-10,12,21H,2-4H2,1H3,(H,19,22).
What are the key properties of N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide?
N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 326.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-4-nitrophenyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 167080558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).