6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide

C18H16ClIN2O2 — CID 68846869

IUPAC6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1I
InChIInChI=1S/C18H16ClIN2O2/c1-10(12-5-3-4-6-15(12)20)22-16(17(23)21-2)14-9-11(19)7-8-13(14)18(22)24/h3-10,16H,1-2H3,(H,21,23)/t10-,16?/m1/s1
InChIKeyGBQIVUKKYGCGQA-HQNRFAHOSA-N
MW454.70 g/mol
LogP3.95
Rot. Bonds3

About 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide

6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68846869) has the molecular formula C18H16ClIN2O2 and a molecular weight of 454.70 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68846869
Molecular FormulaC18H16ClIN2O2
Molecular Weight454.70 g/mol
Exact Mass453.99
IUPAC Name6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1I
InChIInChI=1S/C18H16ClIN2O2/c1-10(12-5-3-4-6-15(12)20)22-16(17(23)21-2)14-9-11(19)7-8-13(14)18(22)24/h3-10,16H,1-2H3,(H,21,23)/t10-,16?/m1/s1
InChIKeyGBQIVUKKYGCGQA-HQNRFAHOSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68771729
(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24965263
N-tert-butyl-6-chloro-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68774576
(1R)-6-chloro-N-(4,4-difluorobutyl)-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24966310
N-tert-butyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 68775440
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 43034323
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68773680
5-chloro-3-hydroxy-2-(2-methylpropyl)-3H-isoindol-1-one
CID 22025424
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide (CID 68846869) is 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide is CNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1I.
What is the InChIKey of 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is GBQIVUKKYGCGQA-HQNRFAHOSA-N. The full InChI is InChI=1S/C18H16ClIN2O2/c1-10(12-5-3-4-6-15(12)20)22-16(17(23)21-2)14-9-11(19)7-8-13(14)18(22)24/h3-10,16H,1-2H3,(H,21,23)/t10-,16?/m1/s1.
What are the key properties of 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide?
6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 454.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68846869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).