N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide

C19H20FNO3 — CID 56782987

IUPACN-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1F)C1CCOCC1
InChIInChI=1S/C19H20FNO3/c20-16-6-2-4-8-18(16)24-17-7-3-1-5-15(17)13-21-19(22)14-9-11-23-12-10-14/h1-8,14H,9-13H2,(H,21,22)
InChIKeyLTBIAYKCAXXCAK-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.66
Rot. Bonds5

About N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide

N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide (PubChem CID 56782987) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
PubChem CID56782987
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccccc1Oc1ccccc1F)C1CCOCC1
InChIInChI=1S/C19H20FNO3/c20-16-6-2-4-8-18(16)24-17-7-3-1-5-15(17)13-21-19(22)14-9-11-23-12-10-14/h1-8,14H,9-13H2,(H,21,22)
InChIKeyLTBIAYKCAXXCAK-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
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
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
1-methyl-1-(oxan-4-yl)-3-[(2-phenoxyphenyl)methyl]urea
CID 71866432
N-[(2-phenoxyphenyl)methyl]oxirane-2-carboxamide
CID 154880106
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
N-[2-(2-aminophenoxy)ethyl]oxane-4-carboxamide
CID 62907038
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide (CID 56782987) is N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide is O=C(NCc1ccccc1Oc1ccccc1F)C1CCOCC1.
What is the InChIKey of N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is LTBIAYKCAXXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-6-2-4-8-18(16)24-17-7-3-1-5-15(17)13-21-19(22)14-9-11-23-12-10-14/h1-8,14H,9-13H2,(H,21,22).
What are the key properties of N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide?
N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56782987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).