N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide

C27H24FN3O3 — CID 58397317

IUPACN-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide
SMILESCCOc1cccc(NC(=O)c2cc(Oc3ncccc3-c3ccnc(CC)c3)ccc2F)c1
InChIInChI=1S/C27H24FN3O3/c1-3-19-15-18(12-14-29-19)23-9-6-13-30-27(23)34-22-10-11-25(28)24(17-22)26(32)31-20-7-5-8-21(16-20)33-4-2/h5-17H,3-4H2,1-2H3,(H,31,32)
InChIKeyAQTMJTUEIULFMT-UHFFFAOYSA-N
MW457.51 g/mol
LogP6.29
Rot. Bonds8

About N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide

N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide (PubChem CID 58397317) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide
PubChem CID58397317
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC NameN-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide
SMILESCCOc1cccc(NC(=O)c2cc(Oc3ncccc3-c3ccnc(CC)c3)ccc2F)c1
InChIInChI=1S/C27H24FN3O3/c1-3-19-15-18(12-14-29-19)23-9-6-13-30-27(23)34-22-10-11-25(28)24(17-22)26(32)31-20-7-5-8-21(16-20)33-4-2/h5-17H,3-4H2,1-2H3,(H,31,32)
InChIKeyAQTMJTUEIULFMT-UHFFFAOYSA-N
XLogP6.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(3-propylphenyl)benzamide
CID 90254948
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58588172
2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide
CID 58588382
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 58396529
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-fluoro-5-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]-N-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 58587962
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
5-(3-chloro-2-pyridinyl)-N-(3-ethoxyphenyl)pyridine-2-carboxamide
CID 59673110

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide?
The IUPAC name of N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide (CID 58397317) is N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide?
The canonical SMILES for N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide is CCOc1cccc(NC(=O)c2cc(Oc3ncccc3-c3ccnc(CC)c3)ccc2F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide?
The InChIKey is AQTMJTUEIULFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-3-19-15-18(12-14-29-19)23-9-6-13-30-27(23)34-22-10-11-25(28)24(17-22)26(32)31-20-7-5-8-21(16-20)33-4-2/h5-17H,3-4H2,1-2H3,(H,31,32).
What are the key properties of N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide?
N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide has a molecular weight of 457.51 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-2-fluorobenzamide is sourced from PubChem (CID 58397317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).