N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide

C24H18Cl2N2O3 — CID 10151591

IUPACN-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18Cl2N2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(25)11-20(18)26/h2-11H,12,27H2,1H3,(H,28,29)
InChIKeyRCZGDEIAYJLIJV-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.86
Rot. Bonds5

About N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide

N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide (PubChem CID 10151591) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
PubChem CID10151591
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C24H18Cl2N2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(25)11-20(18)26/h2-11H,12,27H2,1H3,(H,28,29)
InChIKeyRCZGDEIAYJLIJV-UHFFFAOYSA-N
XLogP5.86
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide (CID 10151591) is N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1.
What is the InChIKey of N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
The InChIKey is RCZGDEIAYJLIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-13(29)28-12-14-3-2-4-15(9-14)16-5-7-19-21(10-16)31-24(22(19)27)23(30)18-8-6-17(25)11-20(18)26/h2-11H,12,27H2,1H3,(H,28,29).
What are the key properties of N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide?
N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide has a molecular weight of 453.33 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10151591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).