5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide

C14H19N3O3 — CID 62156540

IUPAC5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O3/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17(19)20/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,18)
InChIKeyXYFHJFLFPNXVHB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.49
Rot. Bonds3

About 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide

5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide (PubChem CID 62156540) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
PubChem CID62156540
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O3/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17(19)20/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,18)
InChIKeyXYFHJFLFPNXVHB-UHFFFAOYSA-N
XLogP2.49
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

N-(4-methylcyclohexyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27020308
5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62160146
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide (CID 62156540) is 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide is CC1CCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide?
The InChIKey is XYFHJFLFPNXVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17(19)20/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide?
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide is sourced from PubChem (CID 62156540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).