N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide

C12H15N3O3 — CID 115301175

IUPACN-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
SMILESNC(CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C12H15N3O3/c13-11(8-1-2-8)7-14-12(16)9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,1-2,7,13H2,(H,14,16)
InChIKeyAPDYVACTAFNBBL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.06
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide

N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide (PubChem CID 115301175) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
PubChem CID115301175
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
SMILESNC(CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C12H15N3O3/c13-11(8-1-2-8)7-14-12(16)9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,1-2,7,13H2,(H,14,16)
InChIKeyAPDYVACTAFNBBL-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'}

Analyze N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
CID 115301113
N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 115301155
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
methyl 2-bromo-3-[(4-nitrobenzoyl)amino]propanoate
CID 103492630
N-(2-amino-2-cyclopropylethyl)thiophene-3-carboxamide
CID 115301128
N-[(4-chlorocyclohexyl)methyl]-4-nitrobenzamide
CID 106133527
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-cyanoethyl)-4-nitrobenzamide
CID 517993

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide (CID 115301175) is N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide is NC(CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide?
The InChIKey is APDYVACTAFNBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(8-1-2-8)7-14-12(16)9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,1-2,7,13H2,(H,14,16).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide?
N-(2-amino-2-cyclopropylethyl)-4-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-2-cyclopropylethyl)-4-nitrobenzamide is sourced from PubChem (CID 115301175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).