N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide

C24H23FN2O4 — CID 31443327

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
SMILESO=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1
InChIInChI=1S/C24H23FN2O4/c25-21-6-2-1-4-16(21)13-26(17-8-9-17)22(28)15-7-10-19-20(12-15)24(30)27(23(19)29)14-18-5-3-11-31-18/h1-2,4,6-7,10,12,17-18H,3,5,8-9,11,13-14H2/t18-/m1/s1
InChIKeyIFPZDHRODGNOAL-GOSISDBHSA-N
MW422.46 g/mol
LogP3.41
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide (PubChem CID 31443327) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
PubChem CID31443327
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
SMILESO=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1
InChIInChI=1S/C24H23FN2O4/c25-21-6-2-1-4-16(21)13-26(17-8-9-17)22(28)15-7-10-19-20(12-15)24(30)27(23(19)29)14-18-5-3-11-31-18/h1-2,4,6-7,10,12,17-18H,3,5,8-9,11,13-14H2/t18-/m1/s1
InChIKeyIFPZDHRODGNOAL-GOSISDBHSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 26241420
2-butyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24549311
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
N-[2-(2-methylphenyl)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55361052
N-[(2-methylphenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46653554
N-ethyl-N-(4-fluorophenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 51198650
N-methyl-N-[(4-methylphenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38046584
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045341
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119501013
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55548638
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
CID 55762387

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide (CID 31443327) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide is O=C1c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2C(=O)N1C[C@H]1CCCO1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The InChIKey is IFPZDHRODGNOAL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23FN2O4/c25-21-6-2-1-4-16(21)13-26(17-8-9-17)22(28)15-7-10-19-20(12-15)24(30)27(23(19)29)14-18-5-3-11-31-18/h1-2,4,6-7,10,12,17-18H,3,5,8-9,11,13-14H2/t18-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide is sourced from PubChem (CID 31443327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).