N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C23H22FN3O3 — CID 55971881

IUPACN-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CNC(=O)Cc3cccc(F)c3)cn2)cc1C
InChIInChI=1S/C23H22FN3O3/c1-15-6-8-20(10-16(15)2)30-23-9-7-19(13-26-23)27-22(29)14-25-21(28)12-17-4-3-5-18(24)11-17/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyWZYABITYIRPZAF-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.93
Rot. Bonds7

About N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 55971881) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID55971881
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC NameN-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(Oc2ccc(NC(=O)CNC(=O)Cc3cccc(F)c3)cn2)cc1C
InChIInChI=1S/C23H22FN3O3/c1-15-6-8-20(10-16(15)2)30-23-9-7-19(13-26-23)27-22(29)14-25-21(28)12-17-4-3-5-18(24)11-17/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyWZYABITYIRPZAF-UHFFFAOYSA-N
XLogP3.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide with MolForge

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Related Compounds

N-[6-(3-fluorophenoxy)-3-pyridinyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 84584077
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 101364635
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000132
N-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55930783
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
5-bromo-N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55882059
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51123694
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 55971881) is N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is Cc1ccc(Oc2ccc(NC(=O)CNC(=O)Cc3cccc(F)c3)cn2)cc1C.
What is the InChIKey of N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is WZYABITYIRPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-15-6-8-20(10-16(15)2)30-23-9-7-19(13-26-23)27-22(29)14-25-21(28)12-17-4-3-5-18(24)11-17/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 407.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 55971881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).