N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide

C20H23IN2O2 — CID 55801490

IUPACN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2cccc(I)c2)CC(C)O1
InChIInChI=1S/C20H23IN2O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyIFPTZGHFENARES-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.15
Rot. Bonds4

About N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide (PubChem CID 55801490) has the molecular formula C20H23IN2O2 and a molecular weight of 450.32 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
PubChem CID55801490
Molecular FormulaC20H23IN2O2
Molecular Weight450.32 g/mol
Exact Mass450.08
IUPAC NameN-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2cccc(I)c2)CC(C)O1
InChIInChI=1S/C20H23IN2O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)
InChIKeyIFPTZGHFENARES-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55801201
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55801206
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide (CID 55801490) is N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide is CC1CN(Cc2ccccc2NC(=O)c2cccc(I)c2)CC(C)O1.
What is the InChIKey of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide?
The InChIKey is IFPTZGHFENARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-10,14-15H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide?
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide has a molecular weight of 450.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 55801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).