2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

C18H17IN2O3 — CID 17205432

IUPAC2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1I
InChIInChI=1S/C18H17IN2O3/c19-16-7-2-1-6-15(16)17(22)20-14-5-3-4-13(12-14)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyHDHFQLIZLOYEDQ-UHFFFAOYSA-N
MW436.25 g/mol
LogP3.02
Rot. Bonds3

About 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17205432) has the molecular formula C18H17IN2O3 and a molecular weight of 436.25 g/mol. Its IUPAC name is 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17205432
Molecular FormulaC18H17IN2O3
Molecular Weight436.25 g/mol
Exact Mass436.03
IUPAC Name2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1I
InChIInChI=1S/C18H17IN2O3/c19-16-7-2-1-6-15(16)17(22)20-14-5-3-4-13(12-14)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyHDHFQLIZLOYEDQ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 53.02
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

N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 56566780
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
3-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55797229
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (CID 17205432) is 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is HDHFQLIZLOYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O3/c19-16-7-2-1-6-15(16)17(22)20-14-5-3-4-13(12-14)18(23)21-8-10-24-11-9-21/h1-7,12H,8-11H2,(H,20,22).
What are the key properties of 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 436.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17205432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).