2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

C22H17FN4O3 — CID 122309011

IUPAC2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C22H17FN4O3/c23-18-5-1-2-6-19(18)29-14-21(28)26-16-7-9-17(10-8-16)30-22-13-20(24-15-25-22)27-11-3-4-12-27/h1-13,15H,14H2,(H,26,28)
InChIKeyFBNFAHCWBIMDAH-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.22
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122309011) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122309011
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C22H17FN4O3/c23-18-5-1-2-6-19(18)29-14-21(28)26-16-7-9-17(10-8-16)30-22-13-20(24-15-25-22)27-11-3-4-12-27/h1-13,15H,14H2,(H,26,28)
InChIKeyFBNFAHCWBIMDAH-UHFFFAOYSA-N
XLogP4.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122308969
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
2-(2-fluorophenoxy)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925120
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308965
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenoxy)acetamide
CID 4243921
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884
4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309038
3-methoxy-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-4-carboxamide
CID 122309030

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122309011) is 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is O=C(COc1ccccc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is FBNFAHCWBIMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-18-5-1-2-6-19(18)29-14-21(28)26-16-7-9-17(10-8-16)30-22-13-20(24-15-25-22)27-11-3-4-12-27/h1-13,15H,14H2,(H,26,28).
What are the key properties of 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122309011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).