(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide

C15H20F2N2O3 — CID 97340325

IUPAC(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide
SMILESCOc1c(F)cc(NC(=O)N2CCO[C@H](C(C)C)C2)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(2)13-8-19(4-5-22-13)15(20)18-10-6-11(16)14(21-3)12(17)7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyCVEAMQMLEAUQCL-ZDUSSCGKSA-N
MW314.33 g/mol
LogP2.86
Rot. Bonds3

About (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide

(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide (PubChem CID 97340325) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide
PubChem CID97340325
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide
SMILESCOc1c(F)cc(NC(=O)N2CCO[C@H](C(C)C)C2)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-9(2)13-8-19(4-5-22-13)15(20)18-10-6-11(16)14(21-3)12(17)7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyCVEAMQMLEAUQCL-ZDUSSCGKSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
CID 75448476
N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 71980704
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-2-propan-2-ylmorpholine-4-carboxamide
CID 155597165
2-fluoro-N-[(2S)-1-oxo-1-[(2R)-2-propan-2-ylmorpholin-4-yl]propan-2-yl]benzenesulfonamide
CID 97340478
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
CID 102543735
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide (CID 97340325) is (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide is COc1c(F)cc(NC(=O)N2CCO[C@H](C(C)C)C2)cc1F.
What is the InChIKey of (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is CVEAMQMLEAUQCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-9(2)13-8-19(4-5-22-13)15(20)18-10-6-11(16)14(21-3)12(17)7-10/h6-7,9,13H,4-5,8H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide?
(2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-difluoro-4-methoxyphenyl)-2-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97340325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).