N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C19H20N2O2 — CID 3236904

IUPACN-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O
InChIInChI=1S/C19H20N2O2/c1-2-11-21-13-15-9-6-10-16(17(15)19(21)23)18(22)20-12-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeyRHCLFQHNUZYWGL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.98
Rot. Bonds5

About N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 3236904) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID3236904
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O
InChIInChI=1S/C19H20N2O2/c1-2-11-21-13-15-9-6-10-16(17(15)19(21)23)18(22)20-12-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeyRHCLFQHNUZYWGL-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 3236904) is N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O.
What is the InChIKey of N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is RHCLFQHNUZYWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-11-21-13-15-9-6-10-16(17(15)19(21)23)18(22)20-12-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,20,22).
What are the key properties of N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3236904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).