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

C22H17ClFN3O6 — CID 73331684

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C22H17ClFN3O6/c1-32-19-8-6-16(26-21(19)12-3-5-15(24)14(23)9-12)18(28)11-25-22(29)13-4-7-17(27(30)31)20(10-13)33-2/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyGJYXZSALEZFBDG-UHFFFAOYSA-N
MW473.84 g/mol
LogP4.08
Rot. Bonds8

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

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide (PubChem CID 73331684) has the molecular formula C22H17ClFN3O6 and a molecular weight of 473.84 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide
PubChem CID73331684
Molecular FormulaC22H17ClFN3O6
Molecular Weight473.84 g/mol
Exact Mass473.08
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C22H17ClFN3O6/c1-32-19-8-6-16(26-21(19)12-3-5-15(24)14(23)9-12)18(28)11-25-22(29)13-4-7-17(27(30)31)20(10-13)33-2/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyGJYXZSALEZFBDG-UHFFFAOYSA-N
XLogP4.08
TPSA120.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide (CID 73331684) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide?
The InChIKey is GJYXZSALEZFBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O6/c1-32-19-8-6-16(26-21(19)12-3-5-15(24)14(23)9-12)18(28)11-25-22(29)13-4-7-17(27(30)31)20(10-13)33-2/h3-10H,11H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-nitrobenzamide has a molecular weight of 473.84 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 73331684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).