N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide

C13H17FN2O — CID 114263171

IUPACN'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide
SMILESCOc1cc(F)cc(/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C13H17FN2O/c1-17-12-7-10(14)6-11(8-12)16-13(15)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16)
InChIKeyXKCHRSMETIDWKQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.01
Rot. Bonds3

About N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide

N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide (PubChem CID 114263171) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide
PubChem CID114263171
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide
SMILESCOc1cc(F)cc(/N=C(\N)C2CCCC2)c1
InChIInChI=1S/C13H17FN2O/c1-17-12-7-10(14)6-11(8-12)16-13(15)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16)
InChIKeyXKCHRSMETIDWKQ-UHFFFAOYSA-N
XLogP3.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide (CID 114263171) is N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide is COc1cc(F)cc(/N=C(\N)C2CCCC2)c1.
What is the InChIKey of N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide?
The InChIKey is XKCHRSMETIDWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-17-12-7-10(14)6-11(8-12)16-13(15)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16).
What are the key properties of N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide?
N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide has a molecular weight of 236.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-5-methoxyphenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 114263171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).