N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide

C14H18N4O6 — CID 132593728

IUPACN-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide
SMILESCC1CCCCC1Nc1c([N+](=O)[O-])cc(C(=O)NO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O6/c1-8-4-2-3-5-10(8)15-13-11(17(21)22)6-9(14(19)16-20)7-12(13)18(23)24/h6-8,10,15,20H,2-5H2,1H3,(H,16,19)
InChIKeyQASGNEPPBMBEDK-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.61
Rot. Bonds5

About N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide

N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide (PubChem CID 132593728) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide
PubChem CID132593728
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC NameN-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide
SMILESCC1CCCCC1Nc1c([N+](=O)[O-])cc(C(=O)NO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O6/c1-8-4-2-3-5-10(8)15-13-11(17(21)22)6-9(14(19)16-20)7-12(13)18(23)24/h6-8,10,15,20H,2-5H2,1H3,(H,16,19)
InChIKeyQASGNEPPBMBEDK-UHFFFAOYSA-N
XLogP2.61
TPSA147.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
5-hydroxy-N-(2-methylcycloheptyl)-2-nitrobenzamide
CID 107076139
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
CID 132593791
5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 43686013
3-bromo-N-(2,3-dimethylcyclohexyl)-4-nitroaniline
CID 82862272
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide?
The IUPAC name of N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide (CID 132593728) is N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide.
What is the SMILES notation for N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide?
The canonical SMILES for N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide is CC1CCCCC1Nc1c([N+](=O)[O-])cc(C(=O)NO)cc1[N+](=O)[O-].
What is the InChIKey of N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide?
The InChIKey is QASGNEPPBMBEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c1-8-4-2-3-5-10(8)15-13-11(17(21)22)6-9(14(19)16-20)7-12(13)18(23)24/h6-8,10,15,20H,2-5H2,1H3,(H,16,19).
What are the key properties of N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide?
N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide has a molecular weight of 338.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide is sourced from PubChem (CID 132593728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).