N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide

C12H14ClN3O3 — CID 115301113

IUPACN-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
SMILESNC(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c13-10-4-3-8(16(18)19)5-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17)
InChIKeyYIWIDDJEZMQFPH-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.72
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide

N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide (PubChem CID 115301113) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
PubChem CID115301113
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
SMILESNC(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1
InChIInChI=1S/C12H14ClN3O3/c13-10-4-3-8(16(18)19)5-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17)
InChIKeyYIWIDDJEZMQFPH-UHFFFAOYSA-N
XLogP1.72
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.72
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)-2-chloro-5-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-fluoro-4-nitrobenzamide
CID 115301155
N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
CID 115301175
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
2-chloro-5-nitro-N-(thian-4-ylmethyl)benzamide
CID 115625147
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-5-nitrobenzamide
CID 63298381
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
N-(2-bromo-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 113275950
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
2-chloro-5-nitro-N-prop-2-enylbenzamide
CID 2390073

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide (CID 115301113) is N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide is NC(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide?
The InChIKey is YIWIDDJEZMQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-10-4-3-8(16(18)19)5-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide?
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide has a molecular weight of 283.71 g/mol, XLogP of 1.72, 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)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 115301113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).