N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

C18H22FNO2 — CID 71941531

IUPACN-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2
InChIKeyATUAXPJGOCAVPW-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide

N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 71941531) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID71941531
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1F)N(CC1CCOC1)C1CC1
InChIInChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2
InChIKeyATUAXPJGOCAVPW-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide (CID 71941531) is N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1F)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ATUAXPJGOCAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-17-4-2-1-3-14(17)15-9-16(15)18(21)20(13-5-6-13)10-12-7-8-22-11-12/h1-4,12-13,15-16H,5-11H2.
What are the key properties of N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide?
N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluorophenyl)-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71941531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).