N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide

C22H22FN3O2 — CID 66635472

IUPACN-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(-c2cnc(OCc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(26-16(2)27)10-17-6-8-19(9-7-17)20-12-24-22(25-13-20)28-14-18-4-3-5-21(23)11-18/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27)
InChIKeyWKHIIIXEAWDDIK-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.93
Rot. Bonds7

About N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide (PubChem CID 66635472) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
PubChem CID66635472
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(-c2cnc(OCc3cccc(F)c3)nc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(26-16(2)27)10-17-6-8-19(9-7-17)20-12-24-22(25-13-20)28-14-18-4-3-5-21(23)11-18/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27)
InChIKeyWKHIIIXEAWDDIK-UHFFFAOYSA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide (CID 66635472) is N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(-c2cnc(OCc3cccc(F)c3)nc2)cc1.
What is the InChIKey of N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The InChIKey is WKHIIIXEAWDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(26-16(2)27)10-17-6-8-19(9-7-17)20-12-24-22(25-13-20)28-14-18-4-3-5-21(23)11-18/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27).
What are the key properties of N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[(3-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).