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

C17H11F2NO4 — CID 4059771

IUPACN-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3c(F)cccc3F)cc2c1
InChIInChI=1S/C17H11F2NO4/c1-23-10-5-6-14-9(7-10)8-11(17(22)24-14)16(21)20-15-12(18)3-2-4-13(15)19/h2-8H,1H3,(H,20,21)
InChIKeyPGKNTRNCTHCABK-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.33
Rot. Bonds3

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

N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide (PubChem CID 4059771) has the molecular formula C17H11F2NO4 and a molecular weight of 331.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
PubChem CID4059771
Molecular FormulaC17H11F2NO4
Molecular Weight331.27 g/mol
Exact Mass331.07
IUPAC NameN-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3c(F)cccc3F)cc2c1
InChIInChI=1S/C17H11F2NO4/c1-23-10-5-6-14-9(7-10)8-11(17(22)24-14)16(21)20-15-12(18)3-2-4-13(15)19/h2-8H,1H3,(H,20,21)
InChIKeyPGKNTRNCTHCABK-UHFFFAOYSA-N
XLogP3.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 21239589
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207167

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide (CID 4059771) is N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3c(F)cccc3F)cc2c1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is PGKNTRNCTHCABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO4/c1-23-10-5-6-14-9(7-10)8-11(17(22)24-14)16(21)20-15-12(18)3-2-4-13(15)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide?
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 331.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4059771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).