6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide

C18H15F2NO3 — CID 167842970

IUPAC6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C18H15F2NO3/c1-21(10-11-4-2-3-5-14(11)20)18(23)17-9-15(22)13-8-12(19)6-7-16(13)24-17/h2-8,17H,9-10H2,1H3
InChIKeyPMSWFTAQRJKKRF-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.96
Rot. Bonds3

About 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide

6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 167842970) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID167842970
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)C1CC(=O)c2cc(F)ccc2O1
InChIInChI=1S/C18H15F2NO3/c1-21(10-11-4-2-3-5-14(11)20)18(23)17-9-15(22)13-8-12(19)6-7-16(13)24-17/h2-8,17H,9-10H2,1H3
InChIKeyPMSWFTAQRJKKRF-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 167842970) is 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide is CN(Cc1ccccc1F)C(=O)C1CC(=O)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is PMSWFTAQRJKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-21(10-11-4-2-3-5-14(11)20)18(23)17-9-15(22)13-8-12(19)6-7-16(13)24-17/h2-8,17H,9-10H2,1H3.
What are the key properties of 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide?
6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2-fluorophenyl)methyl]-N-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 167842970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).