2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide

C13H19N3O3 — CID 103464488

IUPAC2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H19N3O3/c1-4-13(2,3)8-15-12(17)10-7-9(16(18)19)5-6-11(10)14/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyFZSCSXCCCLHBFP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide

2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide (PubChem CID 103464488) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
PubChem CID103464488
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide
SMILESCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H19N3O3/c1-4-13(2,3)8-15-12(17)10-7-9(16(18)19)5-6-11(10)14/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyFZSCSXCCCLHBFP-UHFFFAOYSA-N
XLogP2.34
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.34
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-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
3-[(2-chloro-5-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427112
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
N-(4-bromo-2,2-dimethylbutyl)-2-methyl-4-nitrobenzamide
CID 106143939
2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-(2,2-dimethylbutyl)-4,5-difluoro-2-nitrobenzamide
CID 103461088
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
2-amino-N-(3-ethoxypropyl)-5-nitrobenzamide
CID 22467524
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide (CID 103464488) is 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide is CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide?
The InChIKey is FZSCSXCCCLHBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-13(2,3)8-15-12(17)10-7-9(16(18)19)5-6-11(10)14/h5-7H,4,8,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide?
2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylbutyl)-5-nitrobenzamide is sourced from PubChem (CID 103464488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).