N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide

C19H13ClF2N2O2 — CID 11595921

IUPACN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide
SMILESCOc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H13ClF2N2O2/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22/h2-10H,1H3,(H,24,25)
InChIKeyREPOWMBMZCESPG-UHFFFAOYSA-N
MW374.77 g/mol
LogP4.94
Rot. Bonds4

About N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide

N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide (PubChem CID 11595921) has the molecular formula C19H13ClF2N2O2 and a molecular weight of 374.77 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide
PubChem CID11595921
Molecular FormulaC19H13ClF2N2O2
Molecular Weight374.77 g/mol
Exact Mass374.06
IUPAC NameN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide
SMILESCOc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H13ClF2N2O2/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22/h2-10H,1H3,(H,24,25)
InChIKeyREPOWMBMZCESPG-UHFFFAOYSA-N
XLogP4.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 54.94
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-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide (CID 11595921) is N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide is COc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide?
The InChIKey is REPOWMBMZCESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22/h2-10H,1H3,(H,24,25).
What are the key properties of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide?
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide has a molecular weight of 374.77 g/mol, XLogP of 4.94, 4 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-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 11595921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).