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

C27H28FN3O4 — CID 59553278

IUPAC3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2=O)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C27H28FN3O4/c28-20-16-19(17-21(18-20)30-10-13-34-14-11-30)27(33)29-24-7-8-25(23-5-2-1-4-22(23)24)35-15-12-31-9-3-6-26(31)32/h1-2,4-5,7-8,16-18H,3,6,9-15H2,(H,29,33)
InChIKeyQJVIIEUUWWUKCK-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.07
Rot. Bonds7

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

3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide (PubChem CID 59553278) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
PubChem CID59553278
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2=O)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C27H28FN3O4/c28-20-16-19(17-21(18-20)30-10-13-34-14-11-30)27(33)29-24-7-8-25(23-5-2-1-4-22(23)24)35-15-12-31-9-3-6-26(31)32/h1-2,4-5,7-8,16-18H,3,6,9-15H2,(H,29,33)
InChIKeyQJVIIEUUWWUKCK-UHFFFAOYSA-N
XLogP4.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-(3-morpholin-4-ylpropoxy)naphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553166
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
N-[4-[2-(3,4-dimethylphenyl)ethoxy]naphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553109
3-fluoro-N-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553354
N-[4-(cyanomethoxy)naphthalen-1-yl]-3-fluoro-5-(4-methylpiperidin-1-yl)benzamide
CID 59553169
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
N-[4-[2-[2,2-dimethoxyethyl(methyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 59553499
4-methyl-3-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553258
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965753
3-[(2R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 143171289
ethyl 4-[4-[4-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553265

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide (CID 59553278) is 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide is O=C(Nc1ccc(OCCN2CCCC2=O)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide?
The InChIKey is QJVIIEUUWWUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c28-20-16-19(17-21(18-20)30-10-13-34-14-11-30)27(33)29-24-7-8-25(23-5-2-1-4-22(23)24)35-15-12-31-9-3-6-26(31)32/h1-2,4-5,7-8,16-18H,3,6,9-15H2,(H,29,33).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide has a molecular weight of 477.54 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]naphthalen-1-yl]benzamide is sourced from PubChem (CID 59553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).