4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide

C18H12ClFN2O2 — CID 11244809

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C18H12ClFN2O2/c19-13-4-3-9-21-17(13)11-7-8-12(14(20)10-11)18(24)22-15-5-1-2-6-16(15)23/h1-10,23H,(H,22,24)
InChIKeyGCQJTQNNCWXHEG-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.50
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide (PubChem CID 11244809) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide
PubChem CID11244809
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C18H12ClFN2O2/c19-13-4-3-9-21-17(13)11-7-8-12(14(20)10-11)18(24)22-15-5-1-2-6-16(15)23/h1-10,23H,(H,22,24)
InChIKeyGCQJTQNNCWXHEG-UHFFFAOYSA-N
XLogP4.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide (CID 11244809) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide is O=C(Nc1ccccc1O)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide?
The InChIKey is GCQJTQNNCWXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c19-13-4-3-9-21-17(13)11-7-8-12(14(20)10-11)18(24)22-15-5-1-2-6-16(15)23/h1-10,23H,(H,22,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide has a molecular weight of 342.76 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 11244809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).