N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

C18H18FNO2 — CID 2884735

IUPACN-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCC1C(C(=O)N(C=O)c2ccccc2F)C2C=CC1C21CC1
InChIInChI=1S/C18H18FNO2/c1-11-12-6-7-13(18(12)8-9-18)16(11)17(22)20(10-21)15-5-3-2-4-14(15)19/h2-7,10-13,16H,8-9H2,1H3
InChIKeyQFOGUNLOKPEKEF-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.16
Rot. Bonds3

About N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (PubChem CID 2884735) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
PubChem CID2884735
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC NameN-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCC1C(C(=O)N(C=O)c2ccccc2F)C2C=CC1C21CC1
InChIInChI=1S/C18H18FNO2/c1-11-12-6-7-13(18(12)8-9-18)16(11)17(22)20(10-21)15-5-3-2-4-14(15)19/h2-7,10-13,16H,8-9H2,1H3
InChIKeyQFOGUNLOKPEKEF-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (CID 2884735) is N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is CC1C(C(=O)N(C=O)c2ccccc2F)C2C=CC1C21CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The InChIKey is QFOGUNLOKPEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-11-12-6-7-13(18(12)8-9-18)16(11)17(22)20(10-21)15-5-3-2-4-14(15)19/h2-7,10-13,16H,8-9H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-formyl-3-methylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 2884735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).