[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone

C14H18F2N2O2 — CID 63185405

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2CC(C)OCC2C)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-8-7-20-9(2)6-18(8)14(19)10-4-11(15)13(17-3)12(16)5-10/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyLLDGFJXXUCUKNJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.26
Rot. Bonds2

About [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone

[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 63185405) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID63185405
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2CC(C)OCC2C)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-8-7-20-9(2)6-18(8)14(19)10-4-11(15)13(17-3)12(16)5-10/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyLLDGFJXXUCUKNJ-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 63185756
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620
(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43421024
(2,5-dimethylmorpholin-4-yl)-[3-(methylamino)-4-nitrophenyl]methanone
CID 62680857
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone (CID 63185405) is [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone is CNc1c(F)cc(C(=O)N2CC(C)OCC2C)cc1F.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is LLDGFJXXUCUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-8-7-20-9(2)6-18(8)14(19)10-4-11(15)13(17-3)12(16)5-10/h4-5,8-9,17H,6-7H2,1-3H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
[3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 284.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 63185405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).