N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide

C17H12FNO3 — CID 3245123

IUPACN-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO3/c1-19(12-8-6-11(18)7-9-12)16(20)15-10-22-17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyLIZXPBZRXDSCMB-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.21
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide

N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide (PubChem CID 3245123) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide
PubChem CID3245123
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC NameN-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO3/c1-19(12-8-6-11(18)7-9-12)16(20)15-10-22-17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyLIZXPBZRXDSCMB-UHFFFAOYSA-N
XLogP3.21
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide (CID 3245123) is N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide is CN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The InChIKey is LIZXPBZRXDSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-19(12-8-6-11(18)7-9-12)16(20)15-10-22-17(21)14-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 3245123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).