3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide

C21H15ClF2N2O4 — CID 141476661

IUPAC3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide
SMILESCCOc1c(Cl)c(C(=O)c2cccnc2)c(F)c(Oc2ccccc2)c1C(=O)NF
InChIInChI=1S/C21H15ClF2N2O4/c1-2-29-19-15(21(28)26-24)20(30-13-8-4-3-5-9-13)17(23)14(16(19)22)18(27)12-7-6-10-25-11-12/h3-11H,2H2,1H3,(H,26,28)
InChIKeyGQCDYAOQLLPRSF-UHFFFAOYSA-N
MW432.81 g/mol
LogP4.91
Rot. Bonds7

About 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide

3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide (PubChem CID 141476661) has the molecular formula C21H15ClF2N2O4 and a molecular weight of 432.81 g/mol. Its IUPAC name is 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide
PubChem CID141476661
Molecular FormulaC21H15ClF2N2O4
Molecular Weight432.81 g/mol
Exact Mass432.07
IUPAC Name3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide
SMILESCCOc1c(Cl)c(C(=O)c2cccnc2)c(F)c(Oc2ccccc2)c1C(=O)NF
InChIInChI=1S/C21H15ClF2N2O4/c1-2-29-19-15(21(28)26-24)20(30-13-8-4-3-5-9-13)17(23)14(16(19)22)18(27)12-7-6-10-25-11-12/h3-11H,2H2,1H3,(H,26,28)
InChIKeyGQCDYAOQLLPRSF-UHFFFAOYSA-N
XLogP4.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide?
The IUPAC name of 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide (CID 141476661) is 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide.
What is the SMILES notation for 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide?
The canonical SMILES for 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide is CCOc1c(Cl)c(C(=O)c2cccnc2)c(F)c(Oc2ccccc2)c1C(=O)NF.
What is the InChIKey of 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide?
The InChIKey is GQCDYAOQLLPRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O4/c1-2-29-19-15(21(28)26-24)20(30-13-8-4-3-5-9-13)17(23)14(16(19)22)18(27)12-7-6-10-25-11-12/h3-11H,2H2,1H3,(H,26,28).
What are the key properties of 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide?
3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide has a molecular weight of 432.81 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethoxy-N,5-difluoro-6-phenoxy-4-(pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 141476661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).