N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide

C18H12Cl2FNO3 — CID 70198822

IUPACN-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
SMILESCC(=O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C18H12Cl2FNO3/c1-8(23)15-9(2)25-17-11(15)6-10(21)7-14(17)22-18(24)16-12(19)4-3-5-13(16)20/h3-7H,1-2H3,(H,22,24)
InChIKeyDEDZJFCYYOSDBP-UHFFFAOYSA-N
MW380.20 g/mol
LogP5.64
Rot. Bonds3

About N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide

N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide (PubChem CID 70198822) has the molecular formula C18H12Cl2FNO3 and a molecular weight of 380.20 g/mol. Its IUPAC name is N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
PubChem CID70198822
Molecular FormulaC18H12Cl2FNO3
Molecular Weight380.20 g/mol
Exact Mass379.02
IUPAC NameN-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide
SMILESCC(=O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12
InChIInChI=1S/C18H12Cl2FNO3/c1-8(23)15-9(2)25-17-11(15)6-10(21)7-14(17)22-18(24)16-12(19)4-3-5-13(16)20/h3-7H,1-2H3,(H,22,24)
InChIKeyDEDZJFCYYOSDBP-UHFFFAOYSA-N
XLogP5.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.20
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide (CID 70198822) is N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide is CC(=O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Cl)cc(F)cc12.
What is the InChIKey of N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
The InChIKey is DEDZJFCYYOSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO3/c1-8(23)15-9(2)25-17-11(15)6-10(21)7-14(17)22-18(24)16-12(19)4-3-5-13(16)20/h3-7H,1-2H3,(H,22,24).
What are the key properties of N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide?
N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide has a molecular weight of 380.20 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-5-fluoro-2-methyl-1-benzofuran-7-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 70198822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).