N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide

C22H20F2N4O2 — CID 117077961

IUPACN-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C22H20F2N4O2/c23-17-3-1-15(2-4-17)11-21(29)27-22-25-6-5-20(26-22)16-12-18(24)14-19(13-16)28-7-9-30-10-8-28/h1-6,12-14H,7-11H2,(H,25,26,27,29)
InChIKeyWQXIUKSYWIHHBA-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide

N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 117077961) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID117077961
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC NameN-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C22H20F2N4O2/c23-17-3-1-15(2-4-17)11-21(29)27-22-25-6-5-20(26-22)16-12-18(24)14-19(13-16)28-7-9-30-10-8-28/h1-6,12-14H,7-11H2,(H,25,26,27,29)
InChIKeyWQXIUKSYWIHHBA-UHFFFAOYSA-N
XLogP3.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
[6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]-3-pyridinyl]methanol;2,2,2-trifluoroacetic acid
CID 117075577
1-[2-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,3-dihydro-1,2,4-triazol-5-yl]piperidin-4-ol
CID 163907168
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 25221138
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methoxy-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 117075479
N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341949
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[5-(2-methyl-3-pyridinyl)-1,3-dihydro-1,2,4-triazol-2-yl]phenyl]pyrimidin-2-amine
CID 143775331
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221250
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide (CID 117077961) is N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nccc(-c2cc(F)cc(N3CCOCC3)c2)n1.
What is the InChIKey of N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is WQXIUKSYWIHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c23-17-3-1-15(2-4-17)11-21(29)27-22-25-6-5-20(26-22)16-12-18(24)14-19(13-16)28-7-9-30-10-8-28/h1-6,12-14H,7-11H2,(H,25,26,27,29).
What are the key properties of N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 410.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 117077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).