N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide

C17H22FNO2 — CID 71810645

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(C)(CNC(=O)C1CC=CCC1)c1ccccc1F
InChIInChI=1S/C17H22FNO2/c1-17(21-2,14-10-6-7-11-15(14)18)12-19-16(20)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYWECQDGTEPRSMI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71810645) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID71810645
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide
SMILESCOC(C)(CNC(=O)C1CC=CCC1)c1ccccc1F
InChIInChI=1S/C17H22FNO2/c1-17(21-2,14-10-6-7-11-15(14)18)12-19-16(20)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyYWECQDGTEPRSMI-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide (CID 71810645) is N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide is COC(C)(CNC(=O)C1CC=CCC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is YWECQDGTEPRSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-17(21-2,14-10-6-7-11-15(14)18)12-19-16(20)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71810645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).