6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide

C23H15ClFNO3 — CID 17096222

IUPAC6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O
InChIInChI=1S/C23H15ClFNO3/c24-18-6-2-1-5-15(18)11-14-9-10-21-16(12-14)13-17(23(28)29-21)22(27)26-20-8-4-3-7-19(20)25/h1-10,12-13H,11H2,(H,26,27)
InChIKeyFELNOLFJUFFGCC-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.43
Rot. Bonds4

About 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide

6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 17096222) has the molecular formula C23H15ClFNO3 and a molecular weight of 407.83 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
PubChem CID17096222
Molecular FormulaC23H15ClFNO3
Molecular Weight407.83 g/mol
Exact Mass407.07
IUPAC Name6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O
InChIInChI=1S/C23H15ClFNO3/c24-18-6-2-1-5-15(18)11-14-9-10-21-16(12-14)13-17(23(28)29-21)22(27)26-20-8-4-3-7-19(20)25/h1-10,12-13H,11H2,(H,26,27)
InChIKeyFELNOLFJUFFGCC-UHFFFAOYSA-N
XLogP5.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.83
LogP ≤ 55.43
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

6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
6-chloro-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 4312248
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
CID 4276970
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide (CID 17096222) is 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccccc1F)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is FELNOLFJUFFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO3/c24-18-6-2-1-5-15(18)11-14-9-10-21-16(12-14)13-17(23(28)29-21)22(27)26-20-8-4-3-7-19(20)25/h1-10,12-13H,11H2,(H,26,27).
What are the key properties of 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide?
6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 17096222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).