2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide

C13H16ClN3O4 — CID 107200147

IUPAC2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C13H16ClN3O4/c1-21-11-4-2-3-10(11)16-13(18)8-5-7(17(19)20)6-9(14)12(8)15/h5-6,10-11H,2-4,15H2,1H3,(H,16,18)
InChIKeyRJVSXRJSQGMIAL-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide

2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide (PubChem CID 107200147) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
PubChem CID107200147
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCCC1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C13H16ClN3O4/c1-21-11-4-2-3-10(11)16-13(18)8-5-7(17(19)20)6-9(14)12(8)15/h5-6,10-11H,2-4,15H2,1H3,(H,16,18)
InChIKeyRJVSXRJSQGMIAL-UHFFFAOYSA-N
XLogP2.13
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-amino-3-chloro-N-(2-methoxycyclopentyl)-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

2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 107123005
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-5-fluoro-N-(2-methoxycyclopentyl)benzamide
CID 62086919
2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
CID 107200833
2,5-difluoro-N-(2-methoxycyclopentyl)-4-nitrobenzamide
CID 104699356
(2-amino-3-chloro-5-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 107200041
4-chloro-N-(2-methoxycyclopentyl)-6-methylpyridine-3-carboxamide
CID 81226462
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
5-chloro-2-hydroxy-N-(2-methoxycyclopentyl)benzamide
CID 62087187

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide (CID 107200147) is 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide is COC1CCCC1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
The InChIKey is RJVSXRJSQGMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c1-21-11-4-2-3-10(11)16-13(18)8-5-7(17(19)20)6-9(14)12(8)15/h5-6,10-11H,2-4,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide?
2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide has a molecular weight of 313.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide is sourced from PubChem (CID 107200147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).