2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

C16H17ClFN3O2 — CID 125012194

IUPAC2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)CCO2)[nH]1
InChIInChI=1S/C16H17ClFN3O2/c1-10-8-19-16(20-10)14-9-21(5-6-23-14)15(22)7-11-12(17)3-2-4-13(11)18/h2-4,8,14H,5-7,9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyVVROCSKDBANIGB-AWEZNQCLSA-N
MW337.78 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 125012194) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
PubChem CID125012194
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1cnc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)CCO2)[nH]1
InChIInChI=1S/C16H17ClFN3O2/c1-10-8-19-16(20-10)14-9-21(5-6-23-14)15(22)7-11-12(17)3-2-4-13(11)18/h2-4,8,14H,5-7,9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyVVROCSKDBANIGB-AWEZNQCLSA-N
XLogP2.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone (CID 125012194) is 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is Cc1cnc([C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)CCO2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is VVROCSKDBANIGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-10-8-19-16(20-10)14-9-21(5-6-23-14)15(22)7-11-12(17)3-2-4-13(11)18/h2-4,8,14H,5-7,9H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 337.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 125012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).