2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide

C20H19FN2O3 — CID 19167534

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19FN2O3/c1-12(2)10-17(18(24)22-14-7-5-6-13(21)11-14)23-19(25)15-8-3-4-9-16(15)20(23)26/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)
InChIKeyUQUBVDNYFTZZGR-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.48
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide (PubChem CID 19167534) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
PubChem CID19167534
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19FN2O3/c1-12(2)10-17(18(24)22-14-7-5-6-13(21)11-14)23-19(25)15-8-3-4-9-16(15)20(23)26/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)
InChIKeyUQUBVDNYFTZZGR-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55917080
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2303089
3-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-N-propylbenzamide
CID 51956664
(2S)-N-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1217246
butyl 3-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19167960
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55540035
tert-butyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]-2-fluorophenyl]carbamate
CID 55767793
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7067637
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide (CID 19167534) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide is CC(C)CC(C(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide?
The InChIKey is UQUBVDNYFTZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12(2)10-17(18(24)22-14-7-5-6-13(21)11-14)23-19(25)15-8-3-4-9-16(15)20(23)26/h3-9,11-12,17H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide has a molecular weight of 354.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 19167534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).