N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide

C19H11ClFN3O2 — CID 71712601

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cnccc1Cl
InChIInChI=1S/C19H11ClFN3O2/c20-13-7-8-22-10-12(13)18(25)23-16-9-11(5-6-14(16)21)19-24-15-3-1-2-4-17(15)26-19/h1-10H,(H,23,25)
InChIKeyQBZMYHABXDMPGR-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.93
Rot. Bonds3

About N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide (PubChem CID 71712601) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide
PubChem CID71712601
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cnccc1Cl
InChIInChI=1S/C19H11ClFN3O2/c20-13-7-8-22-10-12(13)18(25)23-16-9-11(5-6-14(16)21)19-24-15-3-1-2-4-17(15)26-19/h1-10H,(H,23,25)
InChIKeyQBZMYHABXDMPGR-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide (CID 71712601) is N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide is O=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cnccc1Cl.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide?
The InChIKey is QBZMYHABXDMPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-13-7-8-22-10-12(13)18(25)23-16-9-11(5-6-14(16)21)19-24-15-3-1-2-4-17(15)26-19/h1-10H,(H,23,25).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-fluorophenyl]-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 71712601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).