1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide

C12H15BrFN3O — CID 116735707

IUPAC1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H15BrFN3O/c13-7-5-11(9(15)6-8(7)14)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18)
InChIKeyDBVJUUPPIHZMHR-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.01
Rot. Bonds2

About 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide

1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide (PubChem CID 116735707) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
PubChem CID116735707
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H15BrFN3O/c13-7-5-11(9(15)6-8(7)14)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18)
InChIKeyDBVJUUPPIHZMHR-UHFFFAOYSA-N
XLogP2.01
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide (CID 116735707) is 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1cc(Br)c(F)cc1N.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is DBVJUUPPIHZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c13-7-5-11(9(15)6-8(7)14)17-4-2-1-3-10(17)12(16)18/h5-6,10H,1-4,15H2,(H2,16,18).
What are the key properties of 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide?
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 316.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 116735707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).