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

C23H16Cl2N2O3 — CID 10194930

IUPACN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-12(28)27-16-4-2-3-13(9-16)14-5-7-18-20(10-14)30-23(21(18)26)22(29)17-8-6-15(24)11-19(17)25/h2-11H,26H2,1H3,(H,27,28)
InChIKeyNPUNSRMMUKWWIW-UHFFFAOYSA-N
MW439.30 g/mol
LogP6.18
Rot. Bonds4

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

N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide (PubChem CID 10194930) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
PubChem CID10194930
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-12(28)27-16-4-2-3-13(9-16)14-5-7-18-20(10-14)30-23(21(18)26)22(29)17-8-6-15(24)11-19(17)25/h2-11H,26H2,1H3,(H,27,28)
InChIKeyNPUNSRMMUKWWIW-UHFFFAOYSA-N
XLogP6.18
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 56.18
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]acetamide?
The IUPAC name of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide (CID 10194930) is N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-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]acetamide?
The InChIKey is NPUNSRMMUKWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c1-12(28)27-16-4-2-3-13(9-16)14-5-7-18-20(10-14)30-23(21(18)26)22(29)17-8-6-15(24)11-19(17)25/h2-11H,26H2,1H3,(H,27,28).
What are the key properties of N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide?
N-[3-[3-amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]acetamide has a molecular weight of 439.30 g/mol, XLogP of 6.18, 4 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]acetamide is sourced from PubChem (CID 10194930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).