2-iodo-5-nitro-N-(oxan-3-yl)benzamide

C12H13IN2O4 — CID 63363525

IUPAC2-iodo-5-nitro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C12H13IN2O4/c13-11-4-3-9(15(17)18)6-10(11)12(16)14-8-2-1-5-19-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,16)
InChIKeyFQEKUHFVOSGWEW-UHFFFAOYSA-N
MW376.15 g/mol
LogP2.11
Rot. Bonds3

About 2-iodo-5-nitro-N-(oxan-3-yl)benzamide

2-iodo-5-nitro-N-(oxan-3-yl)benzamide (PubChem CID 63363525) has the molecular formula C12H13IN2O4 and a molecular weight of 376.15 g/mol. Its IUPAC name is 2-iodo-5-nitro-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name2-iodo-5-nitro-N-(oxan-3-yl)benzamide
PubChem CID63363525
Molecular FormulaC12H13IN2O4
Molecular Weight376.15 g/mol
Exact Mass375.99
IUPAC Name2-iodo-5-nitro-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C12H13IN2O4/c13-11-4-3-9(15(17)18)6-10(11)12(16)14-8-2-1-5-19-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,16)
InChIKeyFQEKUHFVOSGWEW-UHFFFAOYSA-N
XLogP2.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 60978079
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
3-chloro-2-nitro-N-(oxan-3-yl)benzamide
CID 79831055
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
2-iodo-N-(4-methyloxan-4-yl)-5-nitrobenzamide
CID 115759649
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N-(oxan-3-yl)benzamide?
The IUPAC name of 2-iodo-5-nitro-N-(oxan-3-yl)benzamide (CID 63363525) is 2-iodo-5-nitro-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 2-iodo-5-nitro-N-(oxan-3-yl)benzamide?
The canonical SMILES for 2-iodo-5-nitro-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 2-iodo-5-nitro-N-(oxan-3-yl)benzamide?
The InChIKey is FQEKUHFVOSGWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O4/c13-11-4-3-9(15(17)18)6-10(11)12(16)14-8-2-1-5-19-7-8/h3-4,6,8H,1-2,5,7H2,(H,14,16).
What are the key properties of 2-iodo-5-nitro-N-(oxan-3-yl)benzamide?
2-iodo-5-nitro-N-(oxan-3-yl)benzamide has a molecular weight of 376.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 63363525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).