N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide

C17H17IN2O2 — CID 3737754

IUPACN-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H17IN2O2/c1-11(2)16(21)20-15-5-3-4-12(10-15)17(22)19-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyMGLJYPMGISEUOV-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.14
Rot. Bonds4

About N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide

N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 3737754) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID3737754
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC NameN-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H17IN2O2/c1-11(2)16(21)20-15-5-3-4-12(10-15)17(22)19-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyMGLJYPMGISEUOV-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.14
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

N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-(4-iodophenyl)-3-propan-2-ylbenzamide
CID 175863152
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 5167519
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide (CID 3737754) is N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is MGLJYPMGISEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-11(2)16(21)20-15-5-3-4-12(10-15)17(22)19-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide?
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 408.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 3737754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).