3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide

C20H14F2N4O — CID 17162617

IUPAC3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C20H14F2N4O/c1-12-9-18-19(25-26(24-18)16-7-5-14(21)6-8-16)11-17(12)23-20(27)13-3-2-4-15(22)10-13/h2-11H,1H3,(H,23,27)
InChIKeyQOVVZUGADDPGTL-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.26
Rot. Bonds3

About 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide

3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide (PubChem CID 17162617) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
PubChem CID17162617
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C20H14F2N4O/c1-12-9-18-19(25-26(24-18)16-7-5-14(21)6-8-16)11-17(12)23-20(27)13-3-2-4-15(22)10-13/h2-11H,1H3,(H,23,27)
InChIKeyQOVVZUGADDPGTL-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 15987529
2,3,5,6-tetrafluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-methoxybenzamide
CID 17111190
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
3-bromo-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1348241
4-[(2R)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094050
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
4-ethoxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide
CID 3493108
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
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
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide (CID 17162617) is 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
The InChIKey is QOVVZUGADDPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-12-9-18-19(25-26(24-18)16-7-5-14(21)6-8-16)11-17(12)23-20(27)13-3-2-4-15(22)10-13/h2-11H,1H3,(H,23,27).
What are the key properties of 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide?
3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide has a molecular weight of 364.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide is sourced from PubChem (CID 17162617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).