4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide

C24H23FN4O — CID 15987529

IUPAC4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H23FN4O/c1-15-13-21-22(28-29(27-21)19-11-9-18(25)10-12-19)14-20(15)26-23(30)16-5-7-17(8-6-16)24(2,3)4/h5-14H,1-4H3,(H,26,30)
InChIKeyWHDYCYLVSGWIOL-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.42
Rot. Bonds3

About 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide

4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide (PubChem CID 15987529) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
PubChem CID15987529
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H23FN4O/c1-15-13-21-22(28-29(27-21)19-11-9-18(25)10-12-19)14-20(15)26-23(30)16-5-7-17(8-6-16)24(2,3)4/h5-14H,1-4H3,(H,26,30)
InChIKeyWHDYCYLVSGWIOL-UHFFFAOYSA-N
XLogP5.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17162617
4-[(2R)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094050
2,3,5,6-tetrafluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-methoxybenzamide
CID 17111190
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
4-ethoxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide
CID 3493108
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
4-butoxy-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 17115316
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]formamide
CID 168654618
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-4-phenylbenzamide
CID 23097353

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide (CID 15987529) is 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The InChIKey is WHDYCYLVSGWIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-15-13-21-22(28-29(27-21)19-11-9-18(25)10-12-19)14-20(15)26-23(30)16-5-7-17(8-6-16)24(2,3)4/h5-14H,1-4H3,(H,26,30).
What are the key properties of 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide has a molecular weight of 402.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide is sourced from PubChem (CID 15987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).