(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

C12H13ClINO2 — CID 172647236

IUPAC(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2c(Cl)cccc2I)CCO1
InChIInChI=1S/C12H13ClINO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyMXTOTQAZJVFSOC-QMMMGPOBSA-N
MW365.60 g/mol
LogP2.81
Rot. Bonds1

About (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647236) has the molecular formula C12H13ClINO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID172647236
Molecular FormulaC12H13ClINO2
Molecular Weight365.60 g/mol
Exact Mass364.97
IUPAC Name(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2c(Cl)cccc2I)CCO1
InChIInChI=1S/C12H13ClINO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyMXTOTQAZJVFSOC-QMMMGPOBSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.60
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-6-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647342
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromo-6-fluorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647340
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 172647236) is (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2c(Cl)cccc2I)CCO1.
What is the InChIKey of (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is MXTOTQAZJVFSOC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClINO2/c1-8-7-15(5-6-17-8)12(16)11-9(13)3-2-4-10(11)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 365.60 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-iodophenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).