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

C20H14ClFN2O2 — CID 121363730

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cc(F)ccc1Cl)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-18-4-2-15(22)7-13(18)10-24-20(25)12-1-3-17-16-5-6-23-9-14(16)11-26-19(17)8-12/h1-9H,10-11H2,(H,24,25)
InChIKeyVNCHTBRVTXQQQB-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.36
Rot. Bonds3

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

N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363730) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363730
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1cc(F)ccc1Cl)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14ClFN2O2/c21-18-4-2-15(22)7-13(18)10-24-20(25)12-1-3-17-16-5-6-23-9-14(16)11-26-19(17)8-12/h1-9H,10-11H2,(H,24,25)
InChIKeyVNCHTBRVTXQQQB-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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Related Compounds

N-[(4-chlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363663
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363723
N-(1H-1,2,4-triazol-5-ylmethyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363835
N-[(4-cyanophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363595
[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate
CID 129159122
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363594
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363848
N-(5H-chromeno[3,4-c]pyridin-8-yl)-3-fluorobenzamide
CID 121363974
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363583
N-[[3-[ethyl(methyl)carbamoyl]phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 129159098
N-[[3-(azetidine-1-carbonyl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363503
N-[[3-(2-methylsulfonylpyrimidin-5-yl)phenyl]methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363553

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363730) is N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1cc(F)ccc1Cl)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is VNCHTBRVTXQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c21-18-4-2-15(22)7-13(18)10-24-20(25)12-1-3-17-16-5-6-23-9-14(16)11-26-19(17)8-12/h1-9H,10-11H2,(H,24,25).
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(2-chloro-5-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-5-fluorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).