(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C13H15ClINO2 — CID 103734967

IUPAC(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(I)c(Cl)c2)C(C)CO1
InChIInChI=1S/C13H15ClINO2/c1-8-7-18-9(2)6-16(8)13(17)10-3-4-12(15)11(14)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeySXIFKKCXGSHPGL-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.19
Rot. Bonds1

About (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 103734967) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID103734967
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(I)c(Cl)c2)C(C)CO1
InChIInChI=1S/C13H15ClINO2/c1-8-7-18-9(2)6-16(8)13(17)10-3-4-12(15)11(14)5-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeySXIFKKCXGSHPGL-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.19
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

(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 94881292
(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43421024
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
CID 94050959
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 94021130

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 103734967) is (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(I)c(Cl)c2)C(C)CO1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is SXIFKKCXGSHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c1-8-7-18-9(2)6-16(8)13(17)10-3-4-12(15)11(14)5-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 379.63 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103734967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).