N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide

C24H17FN4O — CID 15987530

IUPACN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H17FN4O/c1-15-13-22-23(28-29(27-22)18-11-9-17(25)10-12-18)14-21(15)26-24(30)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,26,30)
InChIKeyPFZDAKNIIPVHGB-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.27
Rot. Bonds3

About N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide

N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide (PubChem CID 15987530) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
PubChem CID15987530
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC NameN-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C24H17FN4O/c1-15-13-22-23(28-29(27-22)18-11-9-17(25)10-12-18)14-21(15)26-24(30)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,26,30)
InChIKeyPFZDAKNIIPVHGB-UHFFFAOYSA-N
XLogP5.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide (CID 15987530) is N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide is Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is PFZDAKNIIPVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c1-15-13-22-23(28-29(27-22)18-11-9-17(25)10-12-18)14-21(15)26-24(30)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,26,30).
What are the key properties of N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide?
N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 15987530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).