N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide

C14H18F2N2O3 — CID 71861171

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOC(CO)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-9(10-2-3-12(15)13(16)6-10)17-14(20)18-4-5-21-11(7-18)8-19/h2-3,6,9,11,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyARTHEOHNBRGTDG-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.43
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 71861171) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID71861171
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOC(CO)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-9(10-2-3-12(15)13(16)6-10)17-14(20)18-4-5-21-11(7-18)8-19/h2-3,6,9,11,19H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyARTHEOHNBRGTDG-UHFFFAOYSA-N
XLogP1.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
1-Cyclohexyl-3-(2-(4-fluorophenyl)-2-morpholinoethyl)urea
CID 18589037
4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 47069356
5,8-difluoro-N-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923072
1-[1-(3,4-Difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71976445
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75410015
1-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536729
1-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536740
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536752
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
N-(4-fluorobenzyl)-4-(2-methoxyethoxy)tetrahydro-1(2H)-pyridinecarboxamide
CID 91918293

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 71861171) is N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide is CC(NC(=O)N1CCOC(CO)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is ARTHEOHNBRGTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-9(10-2-3-12(15)13(16)6-10)17-14(20)18-4-5-21-11(7-18)8-19/h2-3,6,9,11,19H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 71861171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).