N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride

C13H17ClF2N2O2 — CID 119686288

IUPACN-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-8(10-3-2-9(14)6-11(10)15)17-13(18)12-7-16-4-5-19-12;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyKLGYDVLSIJYOGK-UHFFFAOYSA-N
MW306.74 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride

N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119686288) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119686288
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C13H16F2N2O2.ClH/c1-8(10-3-2-9(14)6-11(10)15)17-13(18)12-7-16-4-5-19-12;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyKLGYDVLSIJYOGK-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982251
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119686288) is N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is KLGYDVLSIJYOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2.ClH/c1-8(10-3-2-9(14)6-11(10)15)17-13(18)12-7-16-4-5-19-12;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 306.74 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119686288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).