2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C23H23FN2O3 — CID 24549311

IUPAC2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C1=O
InChIInChI=1S/C23H23FN2O3/c1-2-3-12-25-22(28)18-11-8-15(13-19(18)23(25)29)21(27)26(17-9-10-17)14-16-6-4-5-7-20(16)24/h4-8,11,13,17H,2-3,9-10,12,14H2,1H3
InChIKeyJOWOKCFHOYXYSM-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.03
Rot. Bonds7

About 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 24549311) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID24549311
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C1=O
InChIInChI=1S/C23H23FN2O3/c1-2-3-12-25-22(28)18-11-8-15(13-19(18)23(25)29)21(27)26(17-9-10-17)14-16-6-4-5-7-20(16)24/h4-8,11,13,17H,2-3,9-10,12,14H2,1H3
InChIKeyJOWOKCFHOYXYSM-UHFFFAOYSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 31443327
(2-fluorophenyl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 2617107
(2-fluorophenyl) 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 8764374
2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide
CID 119553699
2-butyl-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 46687418
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 9490950
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 24675695
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 7624535
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 34577851

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 24549311) is 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C1=O.
What is the InChIKey of 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JOWOKCFHOYXYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-2-3-12-25-22(28)18-11-8-15(13-19(18)23(25)29)21(27)26(17-9-10-17)14-16-6-4-5-7-20(16)24/h4-8,11,13,17H,2-3,9-10,12,14H2,1H3.
What are the key properties of 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 24549311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).