N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide

C16H15IN2O2 — CID 1014195

IUPACN-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-10-3-4-12(9-15(10)17)16(21)19-14-7-5-13(6-8-14)18-11(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXMAMLAVJSCSSDY-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.81
Rot. Bonds3

About N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide

N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide (PubChem CID 1014195) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
PubChem CID1014195
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-10-3-4-12(9-15(10)17)16(21)19-14-7-5-13(6-8-14)18-11(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXMAMLAVJSCSSDY-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-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167470
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28587698
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
N-(4-butan-2-yloxyphenyl)-3-iodo-4-methylbenzamide
CID 17160577
3-iodo-4-methylbenzohydrazide
CID 59732500
3-iodo-4-methyl-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28642902
3-bromo-4-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107999380
N-[(3-acetamido-4-methylphenyl)carbamothioyl]-3-iodo-4-methylbenzamide
CID 54777401

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide (CID 1014195) is N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(I)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide?
The InChIKey is XMAMLAVJSCSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-10-3-4-12(9-15(10)17)16(21)19-14-7-5-13(6-8-14)18-11(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide?
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide 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-(4-acetamidophenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 1014195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).