4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide

C20H23NO — CID 58930422

IUPAC4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
SMILES[3H]c1ccccc1NC(=O)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C20H23NO/c22-20(21-19-9-5-2-6-10-19)18-13-11-17(12-14-18)15-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,21,22)/i9T
InChIKeyCKVCKIGEVQMSEJ-FIRFLZKJSA-N
MW295.42 g/mol
LogP5.06
Rot. Bonds4

About 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide

4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide (PubChem CID 58930422) has the molecular formula C20H23NO and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
PubChem CID58930422
Molecular FormulaC20H23NO
Molecular Weight295.42 g/mol
Exact Mass295.19
IUPAC Name4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide
SMILES[3H]c1ccccc1NC(=O)c1ccc(CC2CCCCC2)cc1
InChIInChI=1S/C20H23NO/c22-20(21-19-9-5-2-6-10-19)18-13-11-17(12-14-18)15-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,21,22)/i9T
InChIKeyCKVCKIGEVQMSEJ-FIRFLZKJSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzoyl-4-(cyclohexylmethylamino)benzamide
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[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide (CID 58930422) is 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide is [3H]c1ccccc1NC(=O)c1ccc(CC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide?
The InChIKey is CKVCKIGEVQMSEJ-FIRFLZKJSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(21-19-9-5-2-6-10-19)18-13-11-17(12-14-18)15-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,21,22)/i9T.
What are the key properties of 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide?
4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide has a molecular weight of 295.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-(2-tritiophenyl)benzamide is sourced from PubChem (CID 58930422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).