2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C25H24N6O2 — CID 118714620

IUPAC2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C25H24N6O2/c1-25(2,3)18-13-11-16(12-14-18)23(32)27-21-10-5-4-9-20(21)24(33)26-19-8-6-7-17(15-19)22-28-30-31-29-22/h4-15H,1-3H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyHCQJFMNGGKWADJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.67
Rot. Bonds5

About 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 118714620) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID118714620
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C25H24N6O2/c1-25(2,3)18-13-11-16(12-14-18)23(32)27-21-10-5-4-9-20(21)24(33)26-19-8-6-7-17(15-19)22-28-30-31-29-22/h4-15H,1-3H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKeyHCQJFMNGGKWADJ-UHFFFAOYSA-N
XLogP4.67
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 118714620) is 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is HCQJFMNGGKWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(2,3)18-13-11-16(12-14-18)23(32)27-21-10-5-4-9-20(21)24(33)26-19-8-6-7-17(15-19)22-28-30-31-29-22/h4-15H,1-3H3,(H,26,33)(H,27,32)(H,28,29,30,31).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 440.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118714620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).