2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide

C23H14F3NO4 — CID 108730692

IUPAC2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)cc3)cc(=O)c2c1
InChIInChI=1S/C23H14F3NO4/c1-30-14-6-9-19-16(10-14)18(28)11-20(31-19)12-2-4-13(5-3-12)27-23(29)15-7-8-17(24)22(26)21(15)25/h2-11H,1H3,(H,27,29)
InChIKeyNIKGGARAQHKRCO-UHFFFAOYSA-N
MW425.36 g/mol
LogP5.14
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide

2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide (PubChem CID 108730692) has the molecular formula C23H14F3NO4 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
PubChem CID108730692
Molecular FormulaC23H14F3NO4
Molecular Weight425.36 g/mol
Exact Mass425.09
IUPAC Name2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)cc3)cc(=O)c2c1
InChIInChI=1S/C23H14F3NO4/c1-30-14-6-9-19-16(10-14)18(28)11-20(31-19)12-2-4-13(5-3-12)27-23(29)15-7-8-17(24)22(26)21(15)25/h2-11H,1H3,(H,27,29)
InChIKeyNIKGGARAQHKRCO-UHFFFAOYSA-N
XLogP5.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-nitrobenzamide
CID 108730775
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 108810423
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide (CID 108730692) is 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide is COc1ccc2oc(-c3ccc(NC(=O)c4ccc(F)c(F)c4F)cc3)cc(=O)c2c1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
The InChIKey is NIKGGARAQHKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO4/c1-30-14-6-9-19-16(10-14)18(28)11-20(31-19)12-2-4-13(5-3-12)27-23(29)15-7-8-17(24)22(26)21(15)25/h2-11H,1H3,(H,27,29).
What are the key properties of 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide?
2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide has a molecular weight of 425.36 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide is sourced from PubChem (CID 108730692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).