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

C19H19FN2O2 — CID 20855911

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NCc3ccc(F)cc3)c2C1=O
InChIInChI=1S/C19H19FN2O2/c1-2-10-22-12-14-4-3-5-16(17(14)19(22)24)18(23)21-11-13-6-8-15(20)9-7-13/h3-9H,2,10-12H2,1H3,(H,21,23)
InChIKeyXJWVNOSOVIJVQC-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.12
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 20855911) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID20855911
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NCc3ccc(F)cc3)c2C1=O
InChIInChI=1S/C19H19FN2O2/c1-2-10-22-12-14-4-3-5-16(17(14)19(22)24)18(23)21-11-13-6-8-15(20)9-7-13/h3-9H,2,10-12H2,1H3,(H,21,23)
InChIKeyXJWVNOSOVIJVQC-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 20855911) is N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)NCc3ccc(F)cc3)c2C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is XJWVNOSOVIJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-10-22-12-14-4-3-5-16(17(14)19(22)24)18(23)21-11-13-6-8-15(20)9-7-13/h3-9H,2,10-12H2,1H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 20855911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).