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

C12H15N3O3 — CID 62061126

IUPAC2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCC1
InChIInChI=1S/C12H15N3O3/c13-11-5-4-9(15(17)18)6-10(11)12(16)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2,(H,14,16)
InChIKeyROMXLWHCWWNXDY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.71
Rot. Bonds4

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

2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide (PubChem CID 62061126) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
PubChem CID62061126
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCC1
InChIInChI=1S/C12H15N3O3/c13-11-5-4-9(15(17)18)6-10(11)12(16)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2,(H,14,16)
InChIKeyROMXLWHCWWNXDY-UHFFFAOYSA-N
XLogP1.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.71
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-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743
2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-5-nitrobenzamide
CID 102977008
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
N-[(3-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 106131813
2-chloro-5-nitro-N-(thian-4-ylmethyl)benzamide
CID 115625147
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
CID 16895615
N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide (CID 62061126) is 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCC1.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide?
The InChIKey is ROMXLWHCWWNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11-5-4-9(15(17)18)6-10(11)12(16)14-7-8-2-1-3-8/h4-6,8H,1-3,7,13H2,(H,14,16).
What are the key properties of 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide?
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 62061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).