N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide

C23H21FN4O2 — CID 15987532

IUPACN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21FN4O2/c1-14(2)30-19-10-4-16(5-11-19)23(29)25-20-13-22-21(12-15(20)3)26-28(27-22)18-8-6-17(24)7-9-18/h4-14H,1-3H3,(H,25,29)
InChIKeyHCCQFMGWPPTGQL-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.91
Rot. Bonds5

About N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide

N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide (PubChem CID 15987532) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide
PubChem CID15987532
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H21FN4O2/c1-14(2)30-19-10-4-16(5-11-19)23(29)25-20-13-22-21(12-15(20)3)26-28(27-22)18-8-6-17(24)7-9-18/h4-14H,1-3H3,(H,25,29)
InChIKeyHCCQFMGWPPTGQL-UHFFFAOYSA-N
XLogP4.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide (CID 15987532) is N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide?
The InChIKey is HCCQFMGWPPTGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14(2)30-19-10-4-16(5-11-19)23(29)25-20-13-22-21(12-15(20)3)26-28(27-22)18-8-6-17(24)7-9-18/h4-14H,1-3H3,(H,25,29).
What are the key properties of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide?
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide has a molecular weight of 404.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 15987532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).