N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide

C19H15F3N2O2 — CID 175651957

IUPACN-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
SMILESCC(C)n1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(F)cc2c1=O
InChIInChI=1S/C19H15F3N2O2/c1-10(2)24-17(7-11-3-4-12(20)8-14(11)19(24)26)18(25)23-16-6-5-13(21)9-15(16)22/h3-10H,1-2H3,(H,23,25)
InChIKeyLNUMDJWXXDFQRR-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.25
Rot. Bonds3

About N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide

N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide (PubChem CID 175651957) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
PubChem CID175651957
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC NameN-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide
SMILESCC(C)n1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(F)cc2c1=O
InChIInChI=1S/C19H15F3N2O2/c1-10(2)24-17(7-11-3-4-12(20)8-14(11)19(24)26)18(25)23-16-6-5-13(21)9-15(16)22/h3-10H,1-2H3,(H,23,25)
InChIKeyLNUMDJWXXDFQRR-UHFFFAOYSA-N
XLogP4.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide (CID 175651957) is N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide is CC(C)n1c(C(=O)Nc2ccc(F)cc2F)cc2ccc(F)cc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide?
The InChIKey is LNUMDJWXXDFQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-10(2)24-17(7-11-3-4-12(20)8-14(11)19(24)26)18(25)23-16-6-5-13(21)9-15(16)22/h3-10H,1-2H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide?
N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-7-fluoro-1-oxo-2-propan-2-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 175651957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).