2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

C20H17IN2O2 — CID 55881732

IUPAC2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1I
InChIInChI=1S/C20H17IN2O2/c1-14-5-4-6-17(19(14)21)20(25)22-16-10-8-15(9-11-16)13-23-12-3-2-7-18(23)24/h2-12H,13H2,1H3,(H,22,25)
InChIKeyFOEXFQSRMPMUAV-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.06
Rot. Bonds4

About 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide

2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (PubChem CID 55881732) has the molecular formula C20H17IN2O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
PubChem CID55881732
Molecular FormulaC20H17IN2O2
Molecular Weight444.27 g/mol
Exact Mass444.03
IUPAC Name2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1I
InChIInChI=1S/C20H17IN2O2/c1-14-5-4-6-17(19(14)21)20(25)22-16-10-8-15(9-11-16)13-23-12-3-2-7-18(23)24/h2-12H,13H2,1H3,(H,22,25)
InChIKeyFOEXFQSRMPMUAV-UHFFFAOYSA-N
XLogP4.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.06
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-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
CID 55767692
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881478
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55858708
2-[(2-chlorophenyl)methoxy]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 60530434
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47856894
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 55690697
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
6-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55858839
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide (CID 55881732) is 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
The InChIKey is FOEXFQSRMPMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O2/c1-14-5-4-6-17(19(14)21)20(25)22-16-10-8-15(9-11-16)13-23-12-3-2-7-18(23)24/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide?
2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide has a molecular weight of 444.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide is sourced from PubChem (CID 55881732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).