N-(3-tert-butylphenyl)-2-tritiobenzamide

C17H19NO — CID 162779949

IUPACN-(3-tert-butylphenyl)-2-tritiobenzamide
SMILES[3H]c1ccccc1C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H19NO/c1-17(2,3)14-10-7-11-15(12-14)18-16(19)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,18,19)/i8T
InChIKeyDIQSHLNGLWOXOP-WTRHXODISA-N
MW255.35 g/mol
LogP4.24
Rot. Bonds2

About N-(3-tert-butylphenyl)-2-tritiobenzamide

N-(3-tert-butylphenyl)-2-tritiobenzamide (PubChem CID 162779949) has the molecular formula C17H19NO and a molecular weight of 255.35 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-2-tritiobenzamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-2-tritiobenzamide
PubChem CID162779949
Molecular FormulaC17H19NO
Molecular Weight255.35 g/mol
Exact Mass255.15
IUPAC NameN-(3-tert-butylphenyl)-2-tritiobenzamide
SMILES[3H]c1ccccc1C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H19NO/c1-17(2,3)14-10-7-11-15(12-14)18-16(19)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,18,19)/i8T
InChIKeyDIQSHLNGLWOXOP-WTRHXODISA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-(2,2-diphenylpropanoylamino)phenyl]benzamide
CID 2263945
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
5-[(3-tert-butylphenyl)carbamoylamino]benzene-1,3-dicarboxylic acid
CID 70846934
N-(3-tert-butylphenyl)-1-diphenylphosphorylmethanethioamide
CID 2779949
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-2-tritiobenzamide?
The IUPAC name of N-(3-tert-butylphenyl)-2-tritiobenzamide (CID 162779949) is N-(3-tert-butylphenyl)-2-tritiobenzamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-2-tritiobenzamide?
The canonical SMILES for N-(3-tert-butylphenyl)-2-tritiobenzamide is [3H]c1ccccc1C(=O)Nc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-2-tritiobenzamide?
The InChIKey is DIQSHLNGLWOXOP-WTRHXODISA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)14-10-7-11-15(12-14)18-16(19)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,18,19)/i8T.
What are the key properties of N-(3-tert-butylphenyl)-2-tritiobenzamide?
N-(3-tert-butylphenyl)-2-tritiobenzamide has a molecular weight of 255.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-2-tritiobenzamide is sourced from PubChem (CID 162779949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).