N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

C19H16FN3O4 — CID 113202807

IUPACN-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-11(24)21-12-4-2-5-13(10-12)22-16(25)8-9-23-18(26)14-6-3-7-15(20)17(14)19(23)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyLEIXGNUUGOBLOD-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.41
Rot. Bonds5

About N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 113202807) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID113202807
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC NameN-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c1
InChIInChI=1S/C19H16FN3O4/c1-11(24)21-12-4-2-5-13(10-12)22-16(25)8-9-23-18(26)14-6-3-7-15(20)17(14)19(23)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyLEIXGNUUGOBLOD-UHFFFAOYSA-N
XLogP2.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-[4-(diethylamino)-2-methylphenyl]-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202834
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113202215
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202679
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-acetamidophenyl)propanamide
CID 2666380
N-[3-[(2-cyanoacetyl)amino]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108922697
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 113202381
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30426218
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (CID 113202807) is N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCN2C(=O)c3cccc(F)c3C2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is LEIXGNUUGOBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-11(24)21-12-4-2-5-13(10-12)22-16(25)8-9-23-18(26)14-6-3-7-15(20)17(14)19(23)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 369.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 113202807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).