N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide

C15H19BrN2O — CID 25237591

IUPACN-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide
SMILESCC/C(=N\NC(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-2-14(11-7-9-13(16)10-8-11)17-18-15(19)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)/b17-14+
InChIKeyYRUKTDUXCIMMIU-SAPNQHFASA-N
MW323.23 g/mol
LogP3.87
Rot. Bonds4

About N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide

N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide (PubChem CID 25237591) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide
PubChem CID25237591
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide
SMILESCC/C(=N\NC(=O)C1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O/c1-2-14(11-7-9-13(16)10-8-11)17-18-15(19)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)/b17-14+
InChIKeyYRUKTDUXCIMMIU-SAPNQHFASA-N
XLogP3.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide (CID 25237591) is N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide is CC/C(=N\NC(=O)C1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The InChIKey is YRUKTDUXCIMMIU-SAPNQHFASA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-14(11-7-9-13(16)10-8-11)17-18-15(19)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)/b17-14+.
What are the key properties of N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide?
N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)propylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).