N-cyclobutyl-2-iodo-5-nitrobenzamide

C11H11IN2O3 — CID 62416139

IUPACN-cyclobutyl-2-iodo-5-nitrobenzamide
SMILESO=C(NC1CCC1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C11H11IN2O3/c12-10-5-4-8(14(16)17)6-9(10)11(15)13-7-2-1-3-7/h4-7H,1-3H2,(H,13,15)
InChIKeyMXVIJDMNEOQHSR-UHFFFAOYSA-N
MW346.12 g/mol
LogP2.48
Rot. Bonds3

About N-cyclobutyl-2-iodo-5-nitrobenzamide

N-cyclobutyl-2-iodo-5-nitrobenzamide (PubChem CID 62416139) has the molecular formula C11H11IN2O3 and a molecular weight of 346.12 g/mol. Its IUPAC name is N-cyclobutyl-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-iodo-5-nitrobenzamide
PubChem CID62416139
Molecular FormulaC11H11IN2O3
Molecular Weight346.12 g/mol
Exact Mass345.98
IUPAC NameN-cyclobutyl-2-iodo-5-nitrobenzamide
SMILESO=C(NC1CCC1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C11H11IN2O3/c12-10-5-4-8(14(16)17)6-9(10)11(15)13-7-2-1-3-7/h4-7H,1-3H2,(H,13,15)
InChIKeyMXVIJDMNEOQHSR-UHFFFAOYSA-N
XLogP2.48
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 60978079
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
2-iodo-5-nitro-N-(oxan-3-yl)benzamide
CID 63363525
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-iodo-5-nitrobenzamide?
The IUPAC name of N-cyclobutyl-2-iodo-5-nitrobenzamide (CID 62416139) is N-cyclobutyl-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-cyclobutyl-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-cyclobutyl-2-iodo-5-nitrobenzamide is O=C(NC1CCC1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-cyclobutyl-2-iodo-5-nitrobenzamide?
The InChIKey is MXVIJDMNEOQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O3/c12-10-5-4-8(14(16)17)6-9(10)11(15)13-7-2-1-3-7/h4-7H,1-3H2,(H,13,15).
What are the key properties of N-cyclobutyl-2-iodo-5-nitrobenzamide?
N-cyclobutyl-2-iodo-5-nitrobenzamide has a molecular weight of 346.12 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 62416139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).