N-ethyl-6-fluoro-2-oxochromene-3-carboxamide

C12H10FNO3 — CID 110486838

IUPACN-ethyl-6-fluoro-2-oxochromene-3-carboxamide
SMILESCCNC(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C12H10FNO3/c1-2-14-11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,2H2,1H3,(H,14,15)
InChIKeyQMLLQGVDLAFCDX-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.68
Rot. Bonds2

About N-ethyl-6-fluoro-2-oxochromene-3-carboxamide

N-ethyl-6-fluoro-2-oxochromene-3-carboxamide (PubChem CID 110486838) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is N-ethyl-6-fluoro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-fluoro-2-oxochromene-3-carboxamide
PubChem CID110486838
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC NameN-ethyl-6-fluoro-2-oxochromene-3-carboxamide
SMILESCCNC(=O)c1cc2cc(F)ccc2oc1=O
InChIInChI=1S/C12H10FNO3/c1-2-14-11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,2H2,1H3,(H,14,15)
InChIKeyQMLLQGVDLAFCDX-UHFFFAOYSA-N
XLogP1.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.68
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-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
CID 110486839
N-ethyl-7-(fluoromethylamino)-2-oxochromene-3-carboxamide
CID 166082844
6-bromo-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 2484379
6-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 100794324
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-fluoro-2-oxochromene-3-carboxamide
CID 91643379
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
6-bromo-N-[2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 121062024
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] benzoate
CID 19185797

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-2-oxochromene-3-carboxamide?
The IUPAC name of N-ethyl-6-fluoro-2-oxochromene-3-carboxamide (CID 110486838) is N-ethyl-6-fluoro-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-ethyl-6-fluoro-2-oxochromene-3-carboxamide?
The canonical SMILES for N-ethyl-6-fluoro-2-oxochromene-3-carboxamide is CCNC(=O)c1cc2cc(F)ccc2oc1=O.
What is the InChIKey of N-ethyl-6-fluoro-2-oxochromene-3-carboxamide?
The InChIKey is QMLLQGVDLAFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-14-11(15)9-6-7-5-8(13)3-4-10(7)17-12(9)16/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-6-fluoro-2-oxochromene-3-carboxamide?
N-ethyl-6-fluoro-2-oxochromene-3-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110486838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).