(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H21ClF2N2O2 — CID 120934200

IUPAC(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-3-13(11-5-4-10(16)8-12(11)17)19-15(20)14-9(2)21-7-6-18-14;/h4-5,8-9,13-14,18H,3,6-7H2,1-2H3,(H,19,20);1H/t9-,13?,14+;/m1./s1
InChIKeyRPFKESXFYPNGMJ-VIDDYSLBSA-N
MW334.79 g/mol
LogP2.33
Rot. Bonds4

About (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120934200) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120934200
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-3-13(11-5-4-10(16)8-12(11)17)19-15(20)14-9(2)21-7-6-18-14;/h4-5,8-9,13-14,18H,3,6-7H2,1-2H3,(H,19,20);1H/t9-,13?,14+;/m1./s1
InChIKeyRPFKESXFYPNGMJ-VIDDYSLBSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
(2R,3S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934105
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925471
3-amino-N-[1-(2,4-difluorophenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119796283
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
CID 120922192
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120934200) is (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1ccc(F)cc1F.Cl.
What is the InChIKey of (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is RPFKESXFYPNGMJ-VIDDYSLBSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-3-13(11-5-4-10(16)8-12(11)17)19-15(20)14-9(2)21-7-6-18-14;/h4-5,8-9,13-14,18H,3,6-7H2,1-2H3,(H,19,20);1H/t9-,13?,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).