2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide

C25H23N3O2 — CID 10715824

IUPAC2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C25H23N3O2/c1-25(2,3)19-13-11-18(12-14-19)23(29)28-22-10-5-4-9-21(22)24(30)27-20-8-6-7-17(15-20)16-26/h4-15H,1-3H3,(H,27,30)(H,28,29)
InChIKeyLKUZQEKSMQEKAF-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.36
Rot. Bonds4

About 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide

2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide (PubChem CID 10715824) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide
PubChem CID10715824
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C25H23N3O2/c1-25(2,3)19-13-11-18(12-14-19)23(29)28-22-10-5-4-9-21(22)24(30)27-20-8-6-7-17(15-20)16-26/h4-15H,1-3H3,(H,27,30)(H,28,29)
InChIKeyLKUZQEKSMQEKAF-UHFFFAOYSA-N
XLogP5.36
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide (CID 10715824) is 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide?
The InChIKey is LKUZQEKSMQEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-25(2,3)19-13-11-18(12-14-19)23(29)28-22-10-5-4-9-21(22)24(30)27-20-8-6-7-17(15-20)16-26/h4-15H,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide?
2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 10715824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).