N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide

C13H10FNO3 — CID 110486348

IUPACN-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
SMILESO=C(NC1CC1)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C13H10FNO3/c14-8-2-1-7-5-10(12(16)15-9-3-4-9)13(17)18-11(7)6-8/h1-2,5-6,9H,3-4H2,(H,15,16)
InChIKeyCSOPCFFJBBVNSF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.82
Rot. Bonds2

About N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide

N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide (PubChem CID 110486348) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
PubChem CID110486348
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC NameN-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
SMILESO=C(NC1CC1)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C13H10FNO3/c14-8-2-1-7-5-10(12(16)15-9-3-4-9)13(17)18-11(7)6-8/h1-2,5-6,9H,3-4H2,(H,15,16)
InChIKeyCSOPCFFJBBVNSF-UHFFFAOYSA-N
XLogP1.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.82
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-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide
CID 175071097
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxochromene-3-carboxamide
CID 42307840
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 17469585
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 19186075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide (CID 110486348) is N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide is O=C(NC1CC1)c1cc2ccc(F)cc2oc1=O.
What is the InChIKey of N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide?
The InChIKey is CSOPCFFJBBVNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-8-2-1-7-5-10(12(16)15-9-3-4-9)13(17)18-11(7)6-8/h1-2,5-6,9H,3-4H2,(H,15,16).
What are the key properties of N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide?
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110486348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).