3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

C27H30FN3O4 — CID 59553096

IUPAC3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C27H30FN3O4/c28-21-17-20(18-22(19-21)31-10-14-34-15-11-31)27(32)29-25-5-6-26(24-4-2-1-3-23(24)25)35-16-9-30-7-12-33-13-8-30/h1-6,17-19H,7-16H2,(H,29,32)
InChIKeySEPXXPRIUVSBJV-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.78
Rot. Bonds7

About 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide

3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (PubChem CID 59553096) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
PubChem CID59553096
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C27H30FN3O4/c28-21-17-20(18-22(19-21)31-10-14-34-15-11-31)27(32)29-25-5-6-26(24-4-2-1-3-23(24)25)35-16-9-30-7-12-33-13-8-30/h1-6,17-19H,7-16H2,(H,29,32)
InChIKeySEPXXPRIUVSBJV-UHFFFAOYSA-N
XLogP3.78
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide (CID 59553096) is 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
The InChIKey is SEPXXPRIUVSBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4/c28-21-17-20(18-22(19-21)31-10-14-34-15-11-31)27(32)29-25-5-6-26(24-4-2-1-3-23(24)25)35-16-9-30-7-12-33-13-8-30/h1-6,17-19H,7-16H2,(H,29,32).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide has a molecular weight of 479.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).