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

C12H14FNO2 — CID 47443507

IUPACN-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCOC1
InChIInChI=1S/C12H14FNO2/c13-11-4-2-1-3-9(11)7-14-12(15)10-5-6-16-8-10/h1-4,10H,5-8H2,(H,14,15)
InChIKeyQSTUPBRDHVJXIH-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.48
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide (PubChem CID 47443507) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
PubChem CID47443507
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCOC1
InChIInChI=1S/C12H14FNO2/c13-11-4-2-1-3-9(11)7-14-12(15)10-5-6-16-8-10/h1-4,10H,5-8H2,(H,14,15)
InChIKeyQSTUPBRDHVJXIH-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
CID 56782987
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
CID 52507274
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide (CID 47443507) is N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide is O=C(NCc1ccccc1F)C1CCOC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide?
The InChIKey is QSTUPBRDHVJXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-4-2-1-3-9(11)7-14-12(15)10-5-6-16-8-10/h1-4,10H,5-8H2,(H,14,15).
What are the key properties of N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide?
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 47443507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).