3-iodo-N-(4-propan-2-ylphenyl)benzamide

C16H16INO — CID 1154174

IUPAC3-iodo-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyVHXSRRRQRRRFBC-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.67
Rot. Bonds3

About 3-iodo-N-(4-propan-2-ylphenyl)benzamide

3-iodo-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 1154174) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 3-iodo-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(4-propan-2-ylphenyl)benzamide
PubChem CID1154174
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name3-iodo-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyVHXSRRRQRRRFBC-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-3-propan-2-ylbenzamide
CID 175863152
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274164
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
1-N-butyl-3-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109051156
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
3-N-cyclohexyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052210
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-iodo-N-(4-propan-2-ylphenyl)benzamide (CID 1154174) is 3-iodo-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-iodo-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-iodo-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is VHXSRRRQRRRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-iodo-N-(4-propan-2-ylphenyl)benzamide?
3-iodo-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 365.21 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 1154174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).