4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide

C23H23FN6O4 — CID 70975235

IUPAC4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2F)nc1N1CCOCC1
InChIInChI=1S/C23H23FN6O4/c1-33-19-13-26-21(29-22(19)30-8-10-34-11-9-30)17-7-6-16(12-18(17)24)28-23(32)27-15-4-2-14(3-5-15)20(25)31/h2-7,12-13H,8-11H2,1H3,(H2,25,31)(H2,27,28,32)
InChIKeyHBGYPLJVLJYVLG-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.87
Rot. Bonds6

About 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide

4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (PubChem CID 70975235) has the molecular formula C23H23FN6O4 and a molecular weight of 466.47 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
PubChem CID70975235
Molecular FormulaC23H23FN6O4
Molecular Weight466.47 g/mol
Exact Mass466.18
IUPAC Name4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2F)nc1N1CCOCC1
InChIInChI=1S/C23H23FN6O4/c1-33-19-13-26-21(29-22(19)30-8-10-34-11-9-30)17-7-6-16(12-18(17)24)28-23(32)27-15-4-2-14(3-5-15)20(25)31/h2-7,12-13H,8-11H2,1H3,(H2,25,31)(H2,27,28,32)
InChIKeyHBGYPLJVLJYVLG-UHFFFAOYSA-N
XLogP2.87
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide (CID 70975235) is 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is COc1cnc(-c2ccc(NC(=O)Nc3ccc(C(N)=O)cc3)cc2F)nc1N1CCOCC1.
What is the InChIKey of 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is HBGYPLJVLJYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4/c1-33-19-13-26-21(29-22(19)30-8-10-34-11-9-30)17-7-6-16(12-18(17)24)28-23(32)27-15-4-2-14(3-5-15)20(25)31/h2-7,12-13H,8-11H2,1H3,(H2,25,31)(H2,27,28,32).
What are the key properties of 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide?
4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 466.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 70975235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).