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

C14H19ClF2N2O2 — CID 119796312

IUPACN-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-12(10-4-3-9(15)7-11(10)16)18-14(19)13-8-17-5-6-20-13;/h3-4,7,12-13,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyCANGUJRGOBSWOB-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.94
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119796312) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119796312
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
SMILESCCC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-2-12(10-4-3-9(15)7-11(10)16)18-14(19)13-8-17-5-6-20-13;/h3-4,7,12-13,17H,2,5-6,8H2,1H3,(H,18,19);1H
InChIKeyCANGUJRGOBSWOB-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686288
(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934200
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
N-[1-(2-ethoxyphenyl)propyl]morpholine-2-carboxamide
CID 119721402
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
N-[(2S)-1-hydroxybutan-2-yl]morpholine-2-carboxamide
CID 107222342
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119796283
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
N-[2-(3-fluorophenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119795610

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride (CID 119796312) is N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride is CCC(NC(=O)C1CNCCO1)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is CANGUJRGOBSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-2-12(10-4-3-9(15)7-11(10)16)18-14(19)13-8-17-5-6-20-13;/h3-4,7,12-13,17H,2,5-6,8H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride?
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 1.94, 4 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)propyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119796312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).