N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide

C14H16FNO2 — CID 110444559

IUPACN-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)C1CCCO1
InChIInChI=1S/C14H16FNO2/c15-11-5-3-10(4-6-11)14(7-8-14)16-13(17)12-2-1-9-18-12/h3-6,12H,1-2,7-9H2,(H,16,17)
InChIKeyCNFNFDAPYBCJCR-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.11
Rot. Bonds3

About N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide (PubChem CID 110444559) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide
PubChem CID110444559
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)C1CCCO1
InChIInChI=1S/C14H16FNO2/c15-11-5-3-10(4-6-11)14(7-8-14)16-13(17)12-2-1-9-18-12/h3-6,12H,1-2,7-9H2,(H,16,17)
InChIKeyCNFNFDAPYBCJCR-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide (CID 110444559) is N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide is O=C(NC1(c2ccc(F)cc2)CC1)C1CCCO1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide?
The InChIKey is CNFNFDAPYBCJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-5-3-10(4-6-11)14(7-8-14)16-13(17)12-2-1-9-18-12/h3-6,12H,1-2,7-9H2,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide is sourced from PubChem (CID 110444559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).