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

C17H14ClFN2O2 — CID 25029943

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClFN2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(19)8-14(10)18/h2-8,15H,9H2,1H3,(H,20,22)
InChIKeyXGOFOERLVIBFHL-UHFFFAOYSA-N
MW332.76 g/mol
LogP2.92
Rot. Bonds3

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 25029943) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID25029943
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
SMILESCN1C(=O)c2ccccc2C1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClFN2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(19)8-14(10)18/h2-8,15H,9H2,1H3,(H,20,22)
InChIKeyXGOFOERLVIBFHL-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide (CID 25029943) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide is CN1C(=O)c2ccccc2C1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is XGOFOERLVIBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-21-15(12-4-2-3-5-13(12)17(21)23)16(22)20-9-10-6-7-11(19)8-14(10)18/h2-8,15H,9H2,1H3,(H,20,22).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 332.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 25029943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).