2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide

C11H13N3O3 — CID 62410185

IUPAC2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
SMILESCC1CC1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H13N3O3/c1-6-4-10(6)13-11(15)8-5-7(14(16)17)2-3-9(8)12/h2-3,5-6,10H,4,12H2,1H3,(H,13,15)
InChIKeyLTRJJMVPQFJOLX-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide

2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide (PubChem CID 62410185) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
PubChem CID62410185
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
SMILESCC1CC1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H13N3O3/c1-6-4-10(6)13-11(15)8-5-7(14(16)17)2-3-9(8)12/h2-3,5-6,10H,4,12H2,1H3,(H,13,15)
InChIKeyLTRJJMVPQFJOLX-UHFFFAOYSA-N
XLogP1.32
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.32
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

2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-5-nitrobenzamide
CID 102977008
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
CID 62398884
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
N-(2-methylcyclopropyl)-3-nitro-5-sulfamoylbenzamide
CID 65386158
2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
CID 99829011
N-(2-methylcyclopropyl)-5-nitropyridin-2-amine
CID 62397740

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide (CID 62410185) is 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide is CC1CC1NC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide?
The InChIKey is LTRJJMVPQFJOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-4-10(6)13-11(15)8-5-7(14(16)17)2-3-9(8)12/h2-3,5-6,10H,4,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide?
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide has a molecular weight of 235.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide is sourced from PubChem (CID 62410185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).