N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C14H19ClFN2O2+ — CID 2474971

IUPACN-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2F)C[C@@H](C)O1
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-13-4-3-11(15)5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m1/s1
InChIKeyYYKGRSUPRGGBOR-NXEZZACHSA-O
MW301.77 g/mol
LogP1.11
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 2474971) has the molecular formula C14H19ClFN2O2+ and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID2474971
Molecular FormulaC14H19ClFN2O2+
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2F)C[C@@H](C)O1
InChIInChI=1S/C14H18ClFN2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-13-4-3-11(15)5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m1/s1
InChIKeyYYKGRSUPRGGBOR-NXEZZACHSA-O
XLogP1.11
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8520047
N-(4-chloro-2-fluorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993995
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
CID 6941474
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2653505
N-(4-chloro-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2654092
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide
CID 8999938
N-(4-chloro-2-fluorophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759451
N-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8900026
N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 2474971) is N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2F)C[C@@H](C)O1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is YYKGRSUPRGGBOR-NXEZZACHSA-O. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9-6-18(7-10(2)20-9)8-14(19)17-13-4-3-11(15)5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,19)/p+1/t9-,10-/m1/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 301.77 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 2474971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).