2-bromo-N-cyclopentyl-4-nitroaniline

C11H13BrN2O2 — CID 2767819

IUPAC2-bromo-N-cyclopentyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NC2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-10-7-9(14(15)16)5-6-11(10)13-8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKeyDOOOOVMWFSSHHK-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.71
Rot. Bonds3

About 2-bromo-N-cyclopentyl-4-nitroaniline

2-bromo-N-cyclopentyl-4-nitroaniline (PubChem CID 2767819) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-4-nitroaniline.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-4-nitroaniline
PubChem CID2767819
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-bromo-N-cyclopentyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NC2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-10-7-9(14(15)16)5-6-11(10)13-8-3-1-2-4-8/h5-8,13H,1-4H2
InChIKeyDOOOOVMWFSSHHK-UHFFFAOYSA-N
XLogP3.71
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083383
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
CID 55063752
2-bromo-N-(3-methylsulfanylcyclohexyl)-4-nitroaniline
CID 103703273
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-(cyclooctylamino)-5-nitrobenzenesulfonamide
CID 44586648
N-cyclopentyl-4-nitro-2-(trifluoromethyl)aniline
CID 54935524
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138
N-(2-bromo-4-nitrophenyl)-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 133321524

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-4-nitroaniline?
The IUPAC name of 2-bromo-N-cyclopentyl-4-nitroaniline (CID 2767819) is 2-bromo-N-cyclopentyl-4-nitroaniline.
What is the SMILES notation for 2-bromo-N-cyclopentyl-4-nitroaniline?
The canonical SMILES for 2-bromo-N-cyclopentyl-4-nitroaniline is O=[N+]([O-])c1ccc(NC2CCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-cyclopentyl-4-nitroaniline?
The InChIKey is DOOOOVMWFSSHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-7-9(14(15)16)5-6-11(10)13-8-3-1-2-4-8/h5-8,13H,1-4H2.
What are the key properties of 2-bromo-N-cyclopentyl-4-nitroaniline?
2-bromo-N-cyclopentyl-4-nitroaniline has a molecular weight of 285.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-4-nitroaniline is sourced from PubChem (CID 2767819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).