N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide

C19H12ClF3N2O2 — CID 11257872

IUPACN-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(Cl)ccc2OC(F)F)cc1)c1ccncc1F
InChIInChI=1S/C19H12ClF3N2O2/c20-12-3-6-17(27-19(22)23)15(9-12)11-1-4-13(5-2-11)25-18(26)14-7-8-24-10-16(14)21/h1-10,19H,(H,25,26)
InChIKeyCRWBENFXHYJELS-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide

N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 11257872) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID11257872
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC NameN-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(Cl)ccc2OC(F)F)cc1)c1ccncc1F
InChIInChI=1S/C19H12ClF3N2O2/c20-12-3-6-17(27-19(22)23)15(9-12)11-1-4-13(5-2-11)25-18(26)14-7-8-24-10-16(14)21/h1-10,19H,(H,25,26)
InChIKeyCRWBENFXHYJELS-UHFFFAOYSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide (CID 11257872) is N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(Cl)ccc2OC(F)F)cc1)c1ccncc1F.
What is the InChIKey of N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CRWBENFXHYJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-12-3-6-17(27-19(22)23)15(9-12)11-1-4-13(5-2-11)25-18(26)14-7-8-24-10-16(14)21/h1-10,19H,(H,25,26).
What are the key properties of N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 392.76 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-2-(difluoromethoxy)phenyl]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11257872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).