6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide

C16H10ClF2NO2 — CID 24517965

IUPAC6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H10ClF2NO2/c17-11-1-4-15-9(6-11)5-10(8-22-15)16(21)20-14-7-12(18)2-3-13(14)19/h1-7H,8H2,(H,20,21)
InChIKeyPPAPHWCNLKOWAZ-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.03
Rot. Bonds2

About 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide

6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide (PubChem CID 24517965) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
PubChem CID24517965
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC Name6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H10ClF2NO2/c17-11-1-4-15-9(6-11)5-10(8-22-15)16(21)20-14-7-12(18)2-3-13(14)19/h1-7H,8H2,(H,20,21)
InChIKeyPPAPHWCNLKOWAZ-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
6-fluoro-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
CID 146123471
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
6-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-2H-chromene-3-carboxamide
CID 60532279
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
CID 55441969
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-(2-fluoro-5-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 34075450
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide (CID 24517965) is 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide is O=C(Nc1cc(F)ccc1F)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide?
The InChIKey is PPAPHWCNLKOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-11-1-4-15-9(6-11)5-10(8-22-15)16(21)20-14-7-12(18)2-3-13(14)19/h1-7H,8H2,(H,20,21).
What are the key properties of 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide?
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide has a molecular weight of 321.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 24517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).