N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide

C14H17BrN2O2 — CID 25237222

IUPACN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2CCCC2)cc1Br
InChIInChI=1S/C14H17BrN2O2/c1-19-13-7-6-10(8-12(13)15)9-16-17-14(18)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,18)/b16-9-
InChIKeyNDIOWVFPDFQFKN-SXGWCWSVSA-N
MW325.21 g/mol
LogP3.10
Rot. Bonds4

About N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237222) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237222
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2CCCC2)cc1Br
InChIInChI=1S/C14H17BrN2O2/c1-19-13-7-6-10(8-12(13)15)9-16-17-14(18)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,18)/b16-9-
InChIKeyNDIOWVFPDFQFKN-SXGWCWSVSA-N
XLogP3.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237222) is N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide is COc1ccc(/C=N\NC(=O)C2CCCC2)cc1Br.
What is the InChIKey of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is NDIOWVFPDFQFKN-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-19-13-7-6-10(8-12(13)15)9-16-17-14(18)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 325.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).