N-(2-tert-butylphenyl)-4-iodobenzamide

C17H18INO — CID 60628050

IUPACN-(2-tert-butylphenyl)-4-iodobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C17H18INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3,(H,19,20)
InChIKeyBDBDPVDHPYTLPQ-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.84
Rot. Bonds2

About N-(2-tert-butylphenyl)-4-iodobenzamide

N-(2-tert-butylphenyl)-4-iodobenzamide (PubChem CID 60628050) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-iodobenzamide
PubChem CID60628050
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-(2-tert-butylphenyl)-4-iodobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C17H18INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3,(H,19,20)
InChIKeyBDBDPVDHPYTLPQ-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.84
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-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-iodobenzamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-iodobenzamide (CID 60628050) is N-(2-tert-butylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-iodobenzamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-iodobenzamide?
The InChIKey is BDBDPVDHPYTLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2-tert-butylphenyl)-4-iodobenzamide?
N-(2-tert-butylphenyl)-4-iodobenzamide has a molecular weight of 379.24 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-iodobenzamide is sourced from PubChem (CID 60628050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).