N-cyclobutyl-4-iodo-2-nitroaniline

C10H11IN2O2 — CID 63713876

IUPACN-cyclobutyl-4-iodo-2-nitroaniline
SMILESO=[N+]([O-])c1cc(I)ccc1NC1CCC1
InChIInChI=1S/C10H11IN2O2/c11-7-4-5-9(10(6-7)13(14)15)12-8-2-1-3-8/h4-6,8,12H,1-3H2
InChIKeyBSABWQZTDAQEPS-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.16
Rot. Bonds3

About N-cyclobutyl-4-iodo-2-nitroaniline

N-cyclobutyl-4-iodo-2-nitroaniline (PubChem CID 63713876) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is N-cyclobutyl-4-iodo-2-nitroaniline.

Molecular Properties

Compound NameN-cyclobutyl-4-iodo-2-nitroaniline
PubChem CID63713876
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC NameN-cyclobutyl-4-iodo-2-nitroaniline
SMILESO=[N+]([O-])c1cc(I)ccc1NC1CCC1
InChIInChI=1S/C10H11IN2O2/c11-7-4-5-9(10(6-7)13(14)15)12-8-2-1-3-8/h4-6,8,12H,1-3H2
InChIKeyBSABWQZTDAQEPS-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 53.16
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-(4-iodo-2-nitrophenyl)pyrrolidin-3-amine
CID 66081891
1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
CID 60970857
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 66065475
methyl 4-(4-iodo-2-nitroanilino)piperidine-1-carboxylate
CID 133273494
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
1-N,3-N-bis(2,4-dinitrophenyl)cyclohexane-1,3-diamine
CID 155539944
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-(azetidin-1-yl)-N-cyclobutyl-2-nitroaniline
CID 162531108
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-iodo-2-nitroaniline?
The IUPAC name of N-cyclobutyl-4-iodo-2-nitroaniline (CID 63713876) is N-cyclobutyl-4-iodo-2-nitroaniline.
What is the SMILES notation for N-cyclobutyl-4-iodo-2-nitroaniline?
The canonical SMILES for N-cyclobutyl-4-iodo-2-nitroaniline is O=[N+]([O-])c1cc(I)ccc1NC1CCC1.
What is the InChIKey of N-cyclobutyl-4-iodo-2-nitroaniline?
The InChIKey is BSABWQZTDAQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2/c11-7-4-5-9(10(6-7)13(14)15)12-8-2-1-3-8/h4-6,8,12H,1-3H2.
What are the key properties of N-cyclobutyl-4-iodo-2-nitroaniline?
N-cyclobutyl-4-iodo-2-nitroaniline has a molecular weight of 318.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-iodo-2-nitroaniline is sourced from PubChem (CID 63713876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).