N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

C20H14ClFN2O2 — CID 121363672

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)c1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-15-3-1-13(18(22)8-15)9-24-20(25)12-2-4-16-14(7-12)11-26-19-10-23-6-5-17(16)19/h1-8,10H,9,11H2,(H,24,25)
InChIKeyYISKJDWZKNEMAB-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.36
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide

N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363672) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363672
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)c1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-15-3-1-13(18(22)8-15)9-24-20(25)12-2-4-16-14(7-12)11-26-19-10-23-6-5-17(16)19/h1-8,10H,9,11H2,(H,24,25)
InChIKeyYISKJDWZKNEMAB-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide (CID 121363672) is N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccc(Cl)cc1F)c1ccc2c(c1)COc1cnccc1-2.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is YISKJDWZKNEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c21-15-3-1-13(18(22)8-15)9-24-20(25)12-2-4-16-14(7-12)11-26-19-10-23-6-5-17(16)19/h1-8,10H,9,11H2,(H,24,25).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide?
N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 368.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).