N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

C20H19FN2O3 — CID 24789982

IUPACN-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(CC1CCCO1)C2
InChIInChI=1S/C20H19FN2O3/c21-14-6-8-15(9-7-14)22-19(24)17-5-1-3-13-11-23(20(25)18(13)17)12-16-4-2-10-26-16/h1,3,5-9,16H,2,4,10-12H2,(H,22,24)
InChIKeyWNWCIYCPYMMDDO-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.21
Rot. Bonds4

About N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 24789982) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID24789982
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(CC1CCCO1)C2
InChIInChI=1S/C20H19FN2O3/c21-14-6-8-15(9-7-14)22-19(24)17-5-1-3-13-11-23(20(25)18(13)17)12-16-4-2-10-26-16/h1,3,5-9,16H,2,4,10-12H2,(H,22,24)
InChIKeyWNWCIYCPYMMDDO-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-(oxolan-2-ylmethyl)benzamide
CID 3747400
O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-fluorophenyl)carbamothioate
CID 5278687
5-amino-2-(tetrahydro-2-furanylmethyl)-1H-isoindole-1,3(2H)-dione
CID 2925042
GlyTouCan:G45949ZG
CID 2947859
3-oxo-2-propyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]isoindoline-4-carboxamide
CID 3240431
N-mesityl-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3244972
N-(4-Methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
CID 5157141
4-[7-[(4-Fluorophenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester
CID 9550958
N-(4-Ethylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551006
3-Oxo-2-(3-(pyrrolidin-1-ylmethyl)phenyl)isoindoline-4-carboxamide
CID 24937581
3-Oxo-2-(4-(pyrrolidin-1-ylmethyl)phenyl)isoindoline-4-carboxamide
CID 24937701
N-(3-Fluoro-4-methylphenyl)-2-(2-methoxyethyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 15990930

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 24789982) is N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(CC1CCCO1)C2.
What is the InChIKey of N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is WNWCIYCPYMMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-14-6-8-15(9-7-14)22-19(24)17-5-1-3-13-11-23(20(25)18(13)17)12-16-4-2-10-26-16/h1,3,5-9,16H,2,4,10-12H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24789982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).