N-[(4-acetamidophenyl)methyl]-3-iodobenzamide

C16H15IN2O2 — CID 30380398

IUPACN-[(4-acetamidophenyl)methyl]-3-iodobenzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-11(20)19-15-7-5-12(6-8-15)10-18-16(21)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeySEUOSAIHXSGXNT-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-3-iodobenzamide

N-[(4-acetamidophenyl)methyl]-3-iodobenzamide (PubChem CID 30380398) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-3-iodobenzamide
PubChem CID30380398
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC NameN-[(4-acetamidophenyl)methyl]-3-iodobenzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H15IN2O2/c1-11(20)19-15-7-5-12(6-8-15)10-18-16(21)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeySEUOSAIHXSGXNT-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.18
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

3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(4-acetamidophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18154098
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-3-iodobenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-3-iodobenzamide (CID 30380398) is N-[(4-acetamidophenyl)methyl]-3-iodobenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-3-iodobenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-3-iodobenzamide is CC(=O)Nc1ccc(CNC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-3-iodobenzamide?
The InChIKey is SEUOSAIHXSGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-11(20)19-15-7-5-12(6-8-15)10-18-16(21)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-acetamidophenyl)methyl]-3-iodobenzamide?
N-[(4-acetamidophenyl)methyl]-3-iodobenzamide has a molecular weight of 394.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-3-iodobenzamide is sourced from PubChem (CID 30380398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).