N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide

C20H12FNO4 — CID 18568670

IUPACN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccco1
InChIInChI=1S/C20H12FNO4/c21-13-5-3-12(4-6-13)19-11-16(23)15-10-14(7-8-17(15)26-19)22-20(24)18-2-1-9-25-18/h1-11H,(H,22,24)
InChIKeyKGISXMLHZKDLGK-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.44
Rot. Bonds3

About N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide

N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide (PubChem CID 18568670) has the molecular formula C20H12FNO4 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide
PubChem CID18568670
Molecular FormulaC20H12FNO4
Molecular Weight349.32 g/mol
Exact Mass349.08
IUPAC NameN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccco1
InChIInChI=1S/C20H12FNO4/c21-13-5-3-12(4-6-13)19-11-16(23)15-10-14(7-8-17(15)26-19)22-20(24)18-2-1-9-25-18/h1-11H,(H,22,24)
InChIKeyKGISXMLHZKDLGK-UHFFFAOYSA-N
XLogP4.44
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]-2-fluorobenzamide
CID 18568810
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]pyridine-4-carboxamide
CID 27532214
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 108810423
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide (CID 18568670) is N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide?
The InChIKey is KGISXMLHZKDLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO4/c21-13-5-3-12(4-6-13)19-11-16(23)15-10-14(7-8-17(15)26-19)22-20(24)18-2-1-9-25-18/h1-11H,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]furan-2-carboxamide is sourced from PubChem (CID 18568670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).