N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide

C17H12FNO3 — CID 8833270

IUPACN-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1coc2ccccc2c1=O
InChIInChI=1S/C17H12FNO3/c18-14-7-3-1-5-11(14)9-19-17(21)13-10-22-15-8-4-2-6-12(15)16(13)20/h1-8,10H,9H2,(H,19,21)
InChIKeyDEWIWRBOKXFGFE-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.86
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide

N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide (PubChem CID 8833270) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide
PubChem CID8833270
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC NameN-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1coc2ccccc2c1=O
InChIInChI=1S/C17H12FNO3/c18-14-7-3-1-5-11(14)9-19-17(21)13-10-22-15-8-4-2-6-12(15)16(13)20/h1-8,10H,9H2,(H,19,21)
InChIKeyDEWIWRBOKXFGFE-UHFFFAOYSA-N
XLogP2.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
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2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
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N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
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2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336844
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide (CID 8833270) is N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide is O=C(NCc1ccccc1F)c1coc2ccccc2c1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide?
The InChIKey is DEWIWRBOKXFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-7-3-1-5-11(14)9-19-17(21)13-10-22-15-8-4-2-6-12(15)16(13)20/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide?
N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 8833270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).