N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide

C12H15N3O3 — CID 65188581

IUPACN-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide
SMILESNCC(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O3/c13-7-10(8-5-6-8)14-12(16)9-3-1-2-4-11(9)15(17)18/h1-4,8,10H,5-7,13H2,(H,14,16)
InChIKeyYGOJIHNKDQFKGQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.06
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide

N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide (PubChem CID 65188581) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide
PubChem CID65188581
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide
SMILESNCC(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15N3O3/c13-7-10(8-5-6-8)14-12(16)9-3-1-2-4-11(9)15(17)18/h1-4,8,10H,5-7,13H2,(H,14,16)
InChIKeyYGOJIHNKDQFKGQ-UHFFFAOYSA-N
XLogP1.06
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-amino-1-cyclohexylethyl)-3-nitrobenzamide
CID 119590123
2-amino-N-(2-amino-1-cyclohexylethyl)-3-nitrobenzamide;hydrochloride
CID 119590122
N-(2-amino-1-cyclopropylethyl)-3-chloro-2-nitrobenzamide
CID 119614636
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-(2-amino-1-cyclopropylethyl)-4-methylsulfanyl-3-nitrobenzamide;hydrochloride
CID 119616130
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2-(N-methyl-2-nitroanilino)acetamide;hydrochloride
CID 119615260
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide (CID 65188581) is N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide is NCC(NC(=O)c1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide?
The InChIKey is YGOJIHNKDQFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-7-10(8-5-6-8)14-12(16)9-3-1-2-4-11(9)15(17)18/h1-4,8,10H,5-7,13H2,(H,14,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide?
N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide has a molecular weight of 249.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide is sourced from PubChem (CID 65188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).