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

C21H21FN2O3 — CID 15995227

IUPAC2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c22-15-9-7-14(8-10-15)13-24-19(17-5-1-2-6-18(17)21(24)26)20(25)23-12-16-4-3-11-27-16/h1-2,5-10,16,19H,3-4,11-13H2,(H,23,25)
InChIKeyNZOLTOADEJUJNO-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.82
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (PubChem CID 15995227) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
PubChem CID15995227
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3/c22-15-9-7-14(8-10-15)13-24-19(17-5-1-2-6-18(17)21(24)26)20(25)23-12-16-4-3-11-27-16/h1-2,5-10,16,19H,3-4,11-13H2,(H,23,25)
InChIKeyNZOLTOADEJUJNO-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide (CID 15995227) is 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
The InChIKey is NZOLTOADEJUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-15-9-7-14(8-10-15)13-24-19(17-5-1-2-6-18(17)21(24)26)20(25)23-12-16-4-3-11-27-16/h1-2,5-10,16,19H,3-4,11-13H2,(H,23,25).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide?
2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-oxo-N-(oxolan-2-ylmethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 15995227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).