4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C16H16FN3O2 — CID 3842094

IUPAC4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-3-1-12(2-4-13)16(21)19-14-5-6-15(18-11-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyVNRPXNRWIBMDHN-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 3842094) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID3842094
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-3-1-12(2-4-13)16(21)19-14-5-6-15(18-11-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21)
InChIKeyVNRPXNRWIBMDHN-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 3842094) is 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is VNRPXNRWIBMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-3-1-12(2-4-13)16(21)19-14-5-6-15(18-11-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 3842094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).