N-(3-acetamido-4-methylphenyl)-2-iodobenzamide

C16H15IN2O2 — CID 54777055

IUPACN-(3-acetamido-4-methylphenyl)-2-iodobenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1C
InChIInChI=1S/C16H15IN2O2/c1-10-7-8-12(9-15(10)18-11(2)20)19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyBDDHQLFJHUTMNP-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.81
Rot. Bonds3

About N-(3-acetamido-4-methylphenyl)-2-iodobenzamide

N-(3-acetamido-4-methylphenyl)-2-iodobenzamide (PubChem CID 54777055) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-iodobenzamide
PubChem CID54777055
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-iodobenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1C
InChIInChI=1S/C16H15IN2O2/c1-10-7-8-12(9-15(10)18-11(2)20)19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyBDDHQLFJHUTMNP-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.81
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-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-(5-benzamido-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 51120342
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044
N-[(3,4-dimethylphenyl)carbamothioyl]-2-iodobenzamide
CID 1048226
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-iodobenzamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-iodobenzamide (CID 54777055) is N-(3-acetamido-4-methylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-iodobenzamide is CC(=O)Nc1cc(NC(=O)c2ccccc2I)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-iodobenzamide?
The InChIKey is BDDHQLFJHUTMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-10-7-8-12(9-15(10)18-11(2)20)19-16(21)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-iodobenzamide?
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide has a molecular weight of 394.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-iodobenzamide is sourced from PubChem (CID 54777055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).