2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

C21H25ClFN2O2+ — CID 9144432

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-15-5-7-16(8-6-15)20(14-25-9-11-27-12-10-25)24-21(26)13-17-18(22)3-2-4-19(17)23/h2-8,20H,9-14H2,1H3,(H,24,26)/p+1/t20-/m1/s1
InChIKeyJAZXUVRHMFRLIX-HXUWFJFHSA-O
MW391.89 g/mol
LogP2.10
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (PubChem CID 9144432) has the molecular formula C21H25ClFN2O2+ and a molecular weight of 391.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
PubChem CID9144432
Molecular FormulaC21H25ClFN2O2+
Molecular Weight391.89 g/mol
Exact Mass391.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H24ClFN2O2/c1-15-5-7-16(8-6-15)20(14-25-9-11-27-12-10-25)24-21(26)13-17-18(22)3-2-4-19(17)23/h2-8,20H,9-14H2,1H3,(H,24,26)/p+1/t20-/m1/s1
InChIKeyJAZXUVRHMFRLIX-HXUWFJFHSA-O
XLogP2.10
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9144552
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563529
5-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiophene-2-carboxamide
CID 9144528
N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea
CID 8563448
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide (CID 9144432) is 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
The InChIKey is JAZXUVRHMFRLIX-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H24ClFN2O2/c1-15-5-7-16(8-6-15)20(14-25-9-11-27-12-10-25)24-21(26)13-17-18(22)3-2-4-19(17)23/h2-8,20H,9-14H2,1H3,(H,24,26)/p+1/t20-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide has a molecular weight of 391.89 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide is sourced from PubChem (CID 9144432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).