N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide

C22H14ClFN2O2 — CID 10222151

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C22H14ClFN2O2/c23-21-10-7-17(13-25-21)26-22(27)16-6-9-20(19(24)12-16)28-18-8-5-14-3-1-2-4-15(14)11-18/h1-13H,(H,26,27)
InChIKeyDOPAZEIYGYDUHQ-UHFFFAOYSA-N
MW392.82 g/mol
LogP6.07
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide (PubChem CID 10222151) has the molecular formula C22H14ClFN2O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide
PubChem CID10222151
Molecular FormulaC22H14ClFN2O2
Molecular Weight392.82 g/mol
Exact Mass392.07
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C22H14ClFN2O2/c23-21-10-7-17(13-25-21)26-22(27)16-6-9-20(19(24)12-16)28-18-8-5-14-3-1-2-4-15(14)11-18/h1-13H,(H,26,27)
InChIKeyDOPAZEIYGYDUHQ-UHFFFAOYSA-N
XLogP6.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide (CID 10222151) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide?
The InChIKey is DOPAZEIYGYDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O2/c23-21-10-7-17(13-25-21)26-22(27)16-6-9-20(19(24)12-16)28-18-8-5-14-3-1-2-4-15(14)11-18/h1-13H,(H,26,27).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide has a molecular weight of 392.82 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-naphthalen-2-yloxybenzamide is sourced from PubChem (CID 10222151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).