2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide

C11H12ClN3O3 — CID 107200431

IUPAC2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NC1CCC1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-7(15(17)18)4-8(10(9)13)11(16)14-6-2-1-3-6/h4-6H,1-3,13H2,(H,14,16)
InChIKeySHZDSLAXGOLSDY-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide

2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide (PubChem CID 107200431) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
PubChem CID107200431
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NC1CCC1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-7(15(17)18)4-8(10(9)13)11(16)14-6-2-1-3-6/h4-6H,1-3,13H2,(H,14,16)
InChIKeySHZDSLAXGOLSDY-UHFFFAOYSA-N
XLogP2.11
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.11
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-(2-cyclobutylethyl)-5-nitrobenzamide
CID 107200833
2-amino-3-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 107200147
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
3-(cyclobutylcarbamoyl)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 65397013
2-chloro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43244113
N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
CID 107192016
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide (CID 107200431) is 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NC1CCC1.
What is the InChIKey of 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide?
The InChIKey is SHZDSLAXGOLSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-9-5-7(15(17)18)4-8(10(9)13)11(16)14-6-2-1-3-6/h4-6H,1-3,13H2,(H,14,16).
What are the key properties of 2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide?
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide has a molecular weight of 269.69 g/mol, XLogP of 2.11, 3 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-cyclobutyl-5-nitrobenzamide is sourced from PubChem (CID 107200431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).