2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

C17H17IN2O2 — CID 54780837

IUPAC2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O2/c1-19-16(21)11-8-12-6-9-13(10-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-7,9-10H,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUKCXUYPIBJZGJC-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.22
Rot. Bonds5

About 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide

2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (PubChem CID 54780837) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
PubChem CID54780837
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IN2O2/c1-19-16(21)11-8-12-6-9-13(10-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-7,9-10H,8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUKCXUYPIBJZGJC-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838
2-hydroxy-N-[4-(4-oxopentyl)phenyl]benzamide
CID 22944662
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide (CID 54780837) is 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is CNC(=O)CCc1ccc(NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
The InChIKey is UKCXUYPIBJZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-19-16(21)11-8-12-6-9-13(10-7-12)20-17(22)14-4-2-3-5-15(14)18/h2-7,9-10H,8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide?
2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide is sourced from PubChem (CID 54780837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).