4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide

C31H22F3N5O3 — CID 23508847

IUPAC4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(CC(C(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H22F3N5O3/c32-31(33,34)25-8-4-7-24(17-25)27(40)18-26(21-11-9-20(10-12-21)19-5-2-1-3-6-19)28(41)22-13-15-23(16-14-22)29(42)35-30-36-38-39-37-30/h1-17,26H,18H2,(H2,35,36,37,38,39,42)
InChIKeyNOFBSZGPCFIAPG-UHFFFAOYSA-N
MW569.54 g/mol
LogP6.38
Rot. Bonds9

About 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide

4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 23508847) has the molecular formula C31H22F3N5O3 and a molecular weight of 569.54 g/mol. Its IUPAC name is 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID23508847
Molecular FormulaC31H22F3N5O3
Molecular Weight569.54 g/mol
Exact Mass569.17
IUPAC Name4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(CC(C(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C31H22F3N5O3/c32-31(33,34)25-8-4-7-24(17-25)27(40)18-26(21-11-9-20(10-12-21)19-5-2-1-3-6-19)28(41)22-13-15-23(16-14-22)29(42)35-30-36-38-39-37-30/h1-17,26H,18H2,(H2,35,36,37,38,39,42)
InChIKeyNOFBSZGPCFIAPG-UHFFFAOYSA-N
XLogP6.38
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.54
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide (CID 23508847) is 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide is O=C(CC(C(=O)c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is NOFBSZGPCFIAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F3N5O3/c32-31(33,34)25-8-4-7-24(17-25)27(40)18-26(21-11-9-20(10-12-21)19-5-2-1-3-6-19)28(41)22-13-15-23(16-14-22)29(42)35-30-36-38-39-37-30/h1-17,26H,18H2,(H2,35,36,37,38,39,42).
What are the key properties of 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 569.54 g/mol, XLogP of 6.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]butanoyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 23508847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).