N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide

C22H18ClFN2O4 — CID 73331683

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1
InChIInChI=1S/C22H18ClFN2O4/c1-29-15-6-3-13(4-7-15)22(28)25-12-19(27)18-9-10-20(30-2)21(26-18)14-5-8-17(24)16(23)11-14/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyXMVNEIXYAHOKOT-UHFFFAOYSA-N
MW428.85 g/mol
LogP4.17
Rot. Bonds7

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 73331683) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide
PubChem CID73331683
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1
InChIInChI=1S/C22H18ClFN2O4/c1-29-15-6-3-13(4-7-15)22(28)25-12-19(27)18-9-10-20(30-2)21(26-18)14-5-8-17(24)16(23)11-14/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyXMVNEIXYAHOKOT-UHFFFAOYSA-N
XLogP4.17
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide (CID 73331683) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is XMVNEIXYAHOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c1-29-15-6-3-13(4-7-15)22(28)25-12-19(27)18-9-10-20(30-2)21(26-18)14-5-8-17(24)16(23)11-14/h3-11H,12H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 428.85 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 73331683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).