3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide

C26H20FN3O5 — CID 166384365

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H20FN3O5/c27-22-15-17(8-9-21(22)24(32)29-10-12-35-13-11-29)28-23(31)16-4-3-5-18(14-16)30-25(33)19-6-1-2-7-20(19)26(30)34/h1-9,14-15H,10-13H2,(H,28,31)
InChIKeyLMGWSJKYDQEFPE-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.35
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide

3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 166384365) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID166384365
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H20FN3O5/c27-22-15-17(8-9-21(22)24(32)29-10-12-35-13-11-29)28-23(31)16-4-3-5-18(14-16)30-25(33)19-6-1-2-7-20(19)26(30)34/h1-9,14-15H,10-13H2,(H,28,31)
InChIKeyLMGWSJKYDQEFPE-UHFFFAOYSA-N
XLogP3.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4262574
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56507697
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
CID 56506673
3-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 19177383
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
3-fluoro-4-(morpholine-4-carbonyl)benzamide
CID 68509173
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1188835
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide (CID 166384365) is 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is LMGWSJKYDQEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c27-22-15-17(8-9-21(22)24(32)29-10-12-35-13-11-29)28-23(31)16-4-3-5-18(14-16)30-25(33)19-6-1-2-7-20(19)26(30)34/h1-9,14-15H,10-13H2,(H,28,31).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 473.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 166384365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).