N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide

C14H18FNO2 — CID 51073090

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCCO1
InChIInChI=1S/C14H18FNO2/c1-2-16(14(17)13-7-4-8-18-13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyXYKNEFFCCAEEQB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide (PubChem CID 51073090) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide
PubChem CID51073090
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCCO1
InChIInChI=1S/C14H18FNO2/c1-2-16(14(17)13-7-4-8-18-13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyXYKNEFFCCAEEQB-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide (CID 51073090) is N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1CCCO1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide?
The InChIKey is XYKNEFFCCAEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-16(14(17)13-7-4-8-18-13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 51073090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).