N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide

C12H15FN2O3 — CID 79831251

IUPACN-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCOC(CO)C1
InChIInChI=1S/C12H15FN2O3/c13-10-3-1-2-4-11(10)14-12(17)15-5-6-18-9(7-15)8-16/h1-4,9,16H,5-8H2,(H,14,17)
InChIKeyANFXDUMOXYTZBQ-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.05
Rot. Bonds2

About N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide

N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 79831251) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID79831251
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCOC(CO)C1
InChIInChI=1S/C12H15FN2O3/c13-10-3-1-2-4-11(10)14-12(17)15-5-6-18-9(7-15)8-16/h1-4,9,16H,5-8H2,(H,14,17)
InChIKeyANFXDUMOXYTZBQ-UHFFFAOYSA-N
XLogP1.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71861217
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide (CID 79831251) is N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(Nc1ccccc1F)N1CCOC(CO)C1.
What is the InChIKey of N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is ANFXDUMOXYTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-3-1-2-4-11(10)14-12(17)15-5-6-18-9(7-15)8-16/h1-4,9,16H,5-8H2,(H,14,17).
What are the key properties of N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide?
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 79831251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).