4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide

C25H24N6O2 — CID 31971288

IUPAC4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C25H24N6O2/c1-25(2,3)19-12-8-17(9-13-19)23(32)27-21-6-4-5-7-22(21)28-24(33)18-10-14-20(15-11-18)31-16-26-29-30-31/h4-16H,1-3H3,(H,27,32)(H,28,33)
InChIKeyWMRYZYUPVQILPH-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.46
Rot. Bonds5

About 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide

4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide (PubChem CID 31971288) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
PubChem CID31971288
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C25H24N6O2/c1-25(2,3)19-12-8-17(9-13-19)23(32)27-21-6-4-5-7-22(21)28-24(33)18-10-14-20(15-11-18)31-16-26-29-30-31/h4-16H,1-3H3,(H,27,32)(H,28,33)
InChIKeyWMRYZYUPVQILPH-UHFFFAOYSA-N
XLogP4.46
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465229
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide (CID 31971288) is 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide?
The InChIKey is WMRYZYUPVQILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(2,3)19-12-8-17(9-13-19)23(32)27-21-6-4-5-7-22(21)28-24(33)18-10-14-20(15-11-18)31-16-26-29-30-31/h4-16H,1-3H3,(H,27,32)(H,28,33).
What are the key properties of 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide?
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide has a molecular weight of 440.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 31971288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).