N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C20H14ClFN2O2 — CID 121363765

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-17-2-1-3-18(22)16(17)10-24-20(25)12-4-5-15-14-6-7-23-9-13(14)11-26-19(15)8-12/h1-9H,10-11H2,(H,24,25)
InChIKeyAUVRGENJNLNTGL-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.36
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363765) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363765
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-17-2-1-3-18(22)16(17)10-24-20(25)12-4-5-15-14-6-7-23-9-13(14)11-26-19(15)8-12/h1-9H,10-11H2,(H,24,25)
InChIKeyAUVRGENJNLNTGL-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-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363765) is N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1c(F)cccc1Cl)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is AUVRGENJNLNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c21-17-2-1-3-18(22)16(17)10-24-20(25)12-4-5-15-14-6-7-23-9-13(14)11-26-19(15)8-12/h1-9H,10-11H2,(H,24,25).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[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-[(2-chloro-6-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).