N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C19H17FN2O3 — CID 29371362

IUPACN-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(F)c1)C2=O
InChIInChI=1S/C19H17FN2O3/c1-12-7-8-15-16(10-12)19(25)22(18(15)24)9-3-6-17(23)21-14-5-2-4-13(20)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,21,23)
InChIKeyWYCOYPVFCQJCQC-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.15
Rot. Bonds5

About N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 29371362) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID29371362
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(F)c1)C2=O
InChIInChI=1S/C19H17FN2O3/c1-12-7-8-15-16(10-12)19(25)22(18(15)24)9-3-6-17(23)21-14-5-2-4-13(20)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,21,23)
InChIKeyWYCOYPVFCQJCQC-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.15
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

6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 113202381
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
N-(3-methoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30426218
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55855859
1-[[3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55767875
N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 30436881
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 29371362) is N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1cccc(F)c1)C2=O.
What is the InChIKey of N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is WYCOYPVFCQJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12-7-8-15-16(10-12)19(25)22(18(15)24)9-3-6-17(23)21-14-5-2-4-13(20)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,21,23).
What are the key properties of N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 340.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 29371362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).