N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide

C16H9F2NO3 — CID 42618006

IUPACN-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H9F2NO3/c17-11-5-3-6-12(18)14(11)19-15(20)10-8-9-4-1-2-7-13(9)22-16(10)21/h1-8H,(H,19,20)
InChIKeyXFMSCZWVQKQMHV-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.32
Rot. Bonds2

About N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide

N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 42618006) has the molecular formula C16H9F2NO3 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
PubChem CID42618006
Molecular FormulaC16H9F2NO3
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC NameN-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H9F2NO3/c17-11-5-3-6-12(18)14(11)19-15(20)10-8-9-4-1-2-7-13(9)22-16(10)21/h1-8H,(H,19,20)
InChIKeyXFMSCZWVQKQMHV-UHFFFAOYSA-N
XLogP3.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
CID 7969966

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide (CID 42618006) is N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1c(F)cccc1F)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is XFMSCZWVQKQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO3/c17-11-5-3-6-12(18)14(11)19-15(20)10-8-9-4-1-2-7-13(9)22-16(10)21/h1-8H,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide?
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 301.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 42618006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).