5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide

C15H20N2O4 — CID 107076139

IUPAC5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
SMILESCC1CCCCCC1NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-5-3-2-4-6-13(10)16-15(19)12-9-11(18)7-8-14(12)17(20)21/h7-10,13,18H,2-6H2,1H3,(H,16,19)
InChIKeyWOYOSIHPNASFFO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.00
Rot. Bonds3

About 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide

5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide (PubChem CID 107076139) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
PubChem CID107076139
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
SMILESCC1CCCCCC1NC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-5-3-2-4-6-13(10)16-15(19)12-9-11(18)7-8-14(12)17(20)21/h7-10,13,18H,2-6H2,1H3,(H,16,19)
InChIKeyWOYOSIHPNASFFO-UHFFFAOYSA-N
XLogP3.00
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.00
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

5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824
5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide?
The IUPAC name of 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide (CID 107076139) is 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide?
The canonical SMILES for 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide is CC1CCCCCC1NC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide?
The InChIKey is WOYOSIHPNASFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-3-2-4-6-13(10)16-15(19)12-9-11(18)7-8-14(12)17(20)21/h7-10,13,18H,2-6H2,1H3,(H,16,19).
What are the key properties of 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide?
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide is sourced from PubChem (CID 107076139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).