6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide

C12H10FNO3 — CID 110486839

IUPAC6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
SMILESCN(C)C(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C12H10FNO3/c1-14(2)11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,1-2H3
InChIKeyQLTKHULFKZPUTQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.63
Rot. Bonds1

About 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide

6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide (PubChem CID 110486839) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
PubChem CID110486839
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
SMILESCN(C)C(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C12H10FNO3/c1-14(2)11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,1-2H3
InChIKeyQLTKHULFKZPUTQ-UHFFFAOYSA-N
XLogP1.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486838
N-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
CID 91643379
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 2484379
N-[(2R)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 6557653
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide (CID 110486839) is 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide is CN(C)C(=O)c1cc2cc(F)ccc2oc1=O.
What is the InChIKey of 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide?
The InChIKey is QLTKHULFKZPUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-14(2)11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,1-2H3.
What are the key properties of 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide?
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110486839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).