N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide

C25H19ClFNO5 — CID 18829862

IUPACN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C25H19ClFNO5/c1-2-31-21-12-7-15(13-19(21)26)24(30)25-23(18-5-3-4-6-20(18)33-25)28-22(29)14-32-17-10-8-16(27)9-11-17/h3-13H,2,14H2,1H3,(H,28,29)
InChIKeyNUNGDPVQZMGUKL-UHFFFAOYSA-N
MW467.88 g/mol
LogP5.87
Rot. Bonds8

About N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide

N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 18829862) has the molecular formula C25H19ClFNO5 and a molecular weight of 467.88 g/mol. Its IUPAC name is N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID18829862
Molecular FormulaC25H19ClFNO5
Molecular Weight467.88 g/mol
Exact Mass467.09
IUPAC NameN-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide
SMILESCCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C25H19ClFNO5/c1-2-31-21-12-7-15(13-19(21)26)24(30)25-23(18-5-3-4-6-20(18)33-25)28-22(29)14-32-17-10-8-16(27)9-11-17/h3-13H,2,14H2,1H3,(H,28,29)
InChIKeyNUNGDPVQZMGUKL-UHFFFAOYSA-N
XLogP5.87
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829831
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide (CID 18829862) is N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide is CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is NUNGDPVQZMGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO5/c1-2-31-21-12-7-15(13-19(21)26)24(30)25-23(18-5-3-4-6-20(18)33-25)28-22(29)14-32-17-10-8-16(27)9-11-17/h3-13H,2,14H2,1H3,(H,28,29).
What are the key properties of N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide?
N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 467.88 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 18829862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).