3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

C23H24FN5O3 — CID 122297404

IUPAC3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1F
InChIInChI=1S/C23H24FN5O3/c1-15-25-21(14-22(26-15)29-9-11-32-12-10-29)27-17-4-6-18(7-5-17)28-23(30)16-3-8-20(31-2)19(24)13-16/h3-8,13-14H,9-12H2,1-2H3,(H,28,30)(H,25,26,27)
InChIKeyCMOCQJLVEHPZQW-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.77
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 122297404) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID122297404
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1F
InChIInChI=1S/C23H24FN5O3/c1-15-25-21(14-22(26-15)29-9-11-32-12-10-29)27-17-4-6-18(7-5-17)28-23(30)16-3-8-20(31-2)19(24)13-16/h3-8,13-14H,9-12H2,1-2H3,(H,28,30)(H,25,26,27)
InChIKeyCMOCQJLVEHPZQW-UHFFFAOYSA-N
XLogP3.77
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 122297404) is 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is CMOCQJLVEHPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15-25-21(14-22(26-15)29-9-11-32-12-10-29)27-17-4-6-18(7-5-17)28-23(30)16-3-8-20(31-2)19(24)13-16/h3-8,13-14H,9-12H2,1-2H3,(H,28,30)(H,25,26,27).
What are the key properties of 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122297404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).