N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide

C19H13ClF2N2O2 — CID 139087883

IUPACN-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)nc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H13ClF2N2O2/c20-17-9-4-12(10-23-17)11-26-14-7-5-13(6-8-14)24-19(25)18-15(21)2-1-3-16(18)22/h1-10H,11H2,(H,24,25)
InChIKeyFWCWRHBTMYKJAC-UHFFFAOYSA-N
MW374.77 g/mol
LogP4.84
Rot. Bonds5

About N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide

N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide (PubChem CID 139087883) has the molecular formula C19H13ClF2N2O2 and a molecular weight of 374.77 g/mol. Its IUPAC name is N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide
PubChem CID139087883
Molecular FormulaC19H13ClF2N2O2
Molecular Weight374.77 g/mol
Exact Mass374.06
IUPAC NameN-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)nc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C19H13ClF2N2O2/c20-17-9-4-12(10-23-17)11-26-14-7-5-13(6-8-14)24-19(25)18-15(21)2-1-3-16(18)22/h1-10H,11H2,(H,24,25)
InChIKeyFWCWRHBTMYKJAC-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide (CID 139087883) is N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(OCc2ccc(Cl)nc2)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide?
The InChIKey is FWCWRHBTMYKJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2/c20-17-9-4-12(10-23-17)11-26-14-7-5-13(6-8-14)24-19(25)18-15(21)2-1-3-16(18)22/h1-10H,11H2,(H,24,25).
What are the key properties of N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide?
N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide has a molecular weight of 374.77 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 139087883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).