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

C13H16ClN3O3 — CID 107200833

IUPAC2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NCCC1CCC1
InChIInChI=1S/C13H16ClN3O3/c14-11-7-9(17(19)20)6-10(12(11)15)13(18)16-5-4-8-2-1-3-8/h6-8H,1-5,15H2,(H,16,18)
InChIKeyTZOWNDFVFQDPLX-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.75
Rot. Bonds5

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

2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide (PubChem CID 107200833) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
PubChem CID107200833
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NCCC1CCC1
InChIInChI=1S/C13H16ClN3O3/c14-11-7-9(17(19)20)6-10(12(11)15)13(18)16-5-4-8-2-1-3-8/h6-8H,1-5,15H2,(H,16,18)
InChIKeyTZOWNDFVFQDPLX-UHFFFAOYSA-N
XLogP2.75
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.75
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-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-amino-3-chloro-5-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 107200453
2-amino-N-(3-cyclopentylpropyl)-5-nitrobenzamide
CID 104877743
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 107200147
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
2-amino-3-chloro-N-(1,4-dioxan-2-ylmethyl)-5-nitrobenzamide
CID 107200159
2-amino-3-chloro-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107200611
2-amino-3-chloro-N-[2-(dimethylamino)propyl]-5-nitrobenzamide
CID 107200277
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
N-(2-cyclobutylethyl)-5-fluoro-2-nitrobenzamide
CID 115687037
N-(3-aminopropyl)-2,3-dichloro-5-nitrobenzamide
CID 107188563

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide (CID 107200833) is 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NCCC1CCC1.
What is the InChIKey of 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide?
The InChIKey is TZOWNDFVFQDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-11-7-9(17(19)20)6-10(12(11)15)13(18)16-5-4-8-2-1-3-8/h6-8H,1-5,15H2,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide?
2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide is sourced from PubChem (CID 107200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).