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

C22H16F2N4O2 — CID 122309067

IUPAC2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C22H16F2N4O2/c23-16-4-3-15(19(24)12-16)11-21(29)27-17-5-7-18(8-6-17)30-22-13-20(25-14-26-22)28-9-1-2-10-28/h1-10,12-14H,11H2,(H,27,29)
InChIKeyCZHLQYSQTLKTOA-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.52
Rot. Bonds6

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

2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122309067) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122309067
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C22H16F2N4O2/c23-16-4-3-15(19(24)12-16)11-21(29)27-17-5-7-18(8-6-17)30-22-13-20(25-14-26-22)28-9-1-2-10-28/h1-10,12-14H,11H2,(H,27,29)
InChIKeyCZHLQYSQTLKTOA-UHFFFAOYSA-N
XLogP4.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309445
2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309011
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
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
2,4,5-trifluoro-3-methoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309080
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308965
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884
N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethanesulfonamide
CID 122308945
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122308969

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122309067) is 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is O=C(Cc1ccc(F)cc1F)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is CZHLQYSQTLKTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c23-16-4-3-15(19(24)12-16)11-21(29)27-17-5-7-18(8-6-17)30-22-13-20(25-14-26-22)28-9-1-2-10-28/h1-10,12-14H,11H2,(H,27,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).