N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide

C18H12ClFN2O2 — CID 154695924

IUPACN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cccnc1
InChIInChI=1S/C18H12ClFN2O2/c19-16-10-14(22-18(23)12-3-2-8-21-11-12)6-7-17(16)24-15-5-1-4-13(20)9-15/h1-11H,(H,22,23)
InChIKeyBFTDCBUQCVYVPC-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.92
Rot. Bonds4

About N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide

N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide (PubChem CID 154695924) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide
PubChem CID154695924
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cccnc1
InChIInChI=1S/C18H12ClFN2O2/c19-16-10-14(22-18(23)12-3-2-8-21-11-12)6-7-17(16)24-15-5-1-4-13(20)9-15/h1-11H,(H,22,23)
InChIKeyBFTDCBUQCVYVPC-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide (CID 154695924) is N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)c(Cl)c1)c1cccnc1.
What is the InChIKey of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is BFTDCBUQCVYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c19-16-10-14(22-18(23)12-3-2-8-21-11-12)6-7-17(16)24-15-5-1-4-13(20)9-15/h1-11H,(H,22,23).
What are the key properties of N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide?
N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154695924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).