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

C19H14ClFN2O2 — CID 32599585

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccncc1
InChIInChI=1S/C19H14ClFN2O2/c20-17-11-16(23-19(24)14-6-8-22-9-7-14)4-5-18(17)25-12-13-2-1-3-15(21)10-13/h1-11H,12H2,(H,23,24)
InChIKeyCGQSCKGQVKXEEM-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.71
Rot. Bonds5

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

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide (PubChem CID 32599585) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
PubChem CID32599585
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccncc1
InChIInChI=1S/C19H14ClFN2O2/c20-17-11-16(23-19(24)14-6-8-22-9-7-14)4-5-18(17)25-12-13-2-1-3-15(21)10-13/h1-11H,12H2,(H,23,24)
InChIKeyCGQSCKGQVKXEEM-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.71
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-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide (CID 32599585) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccncc1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is CGQSCKGQVKXEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-17-11-16(23-19(24)14-6-8-22-9-7-14)4-5-18(17)25-12-13-2-1-3-15(21)10-13/h1-11H,12H2,(H,23,24).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 356.78 g/mol, XLogP of 4.71, 5 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-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 32599585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).