(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide

C15H18F2N2O2 — CID 129425263

IUPAC(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-9-6-13(9)18-15(20)19-4-5-21-14(8-19)10-2-3-11(16)12(17)7-10/h2-3,7,9,13-14H,4-6,8H2,1H3,(H,18,20)/t9-,13-,14-/m1/s1
InChIKeyJQOXAXYJLCGYMS-OWYVNGRQSA-N
MW296.32 g/mol
LogP2.46
Rot. Bonds2

About (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide

(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide (PubChem CID 129425263) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
PubChem CID129425263
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
SMILESC[C@@H]1C[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H18F2N2O2/c1-9-6-13(9)18-15(20)19-4-5-21-14(8-19)10-2-3-11(16)12(17)7-10/h2-3,7,9,13-14H,4-6,8H2,1H3,(H,18,20)/t9-,13-,14-/m1/s1
InChIKeyJQOXAXYJLCGYMS-OWYVNGRQSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
CID 172888533
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide (CID 129425263) is (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide is C[C@@H]1C[C@H]1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide?
The InChIKey is JQOXAXYJLCGYMS-OWYVNGRQSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9-6-13(9)18-15(20)19-4-5-21-14(8-19)10-2-3-11(16)12(17)7-10/h2-3,7,9,13-14H,4-6,8H2,1H3,(H,18,20)/t9-,13-,14-/m1/s1.
What are the key properties of (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide?
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide is sourced from PubChem (CID 129425263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).