2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide

C23H16ClFN2O3 — CID 59692051

IUPAC2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H16ClFN2O3/c24-18-11-15(25)5-7-16(18)22(29)23-21(27)17-6-4-14(10-19(17)30-23)13-3-1-2-12(8-13)9-20(26)28/h1-8,10-11H,9,27H2,(H2,26,28)
InChIKeyZEWXAYRALVLUOX-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.73
Rot. Bonds5

About 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide

2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide (PubChem CID 59692051) has the molecular formula C23H16ClFN2O3 and a molecular weight of 422.84 g/mol. Its IUPAC name is 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
PubChem CID59692051
Molecular FormulaC23H16ClFN2O3
Molecular Weight422.84 g/mol
Exact Mass422.08
IUPAC Name2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H16ClFN2O3/c24-18-11-15(25)5-7-16(18)22(29)23-21(27)17-6-4-14(10-19(17)30-23)13-3-1-2-12(8-13)9-20(26)28/h1-8,10-11H,9,27H2,(H2,26,28)
InChIKeyZEWXAYRALVLUOX-UHFFFAOYSA-N
XLogP4.73
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide (CID 59692051) is 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide is NC(=O)Cc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4Cl)oc3c2)c1.
What is the InChIKey of 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
The InChIKey is ZEWXAYRALVLUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O3/c24-18-11-15(25)5-7-16(18)22(29)23-21(27)17-6-4-14(10-19(17)30-23)13-3-1-2-12(8-13)9-20(26)28/h1-8,10-11H,9,27H2,(H2,26,28).
What are the key properties of 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide has a molecular weight of 422.84 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide is sourced from PubChem (CID 59692051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).