N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

C19H18ClNO2 — CID 18872463

IUPACN-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2occ(CC(=O)NCc3ccccc3Cl)c2c1
InChIInChI=1S/C19H18ClNO2/c1-2-13-7-8-18-16(9-13)15(12-23-18)10-19(22)21-11-14-5-3-4-6-17(14)20/h3-9,12H,2,10-11H2,1H3,(H,21,22)
InChIKeyCLWFQKMDRBJSNY-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.51
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18872463) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
PubChem CID18872463
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2occ(CC(=O)NCc3ccccc3Cl)c2c1
InChIInChI=1S/C19H18ClNO2/c1-2-13-7-8-18-16(9-13)15(12-23-18)10-19(22)21-11-14-5-3-4-6-17(14)20/h3-9,12H,2,10-11H2,1H3,(H,21,22)
InChIKeyCLWFQKMDRBJSNY-UHFFFAOYSA-N
XLogP4.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16560070
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
2-(5-ethyl-1-benzofuran-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18861193
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide (CID 18872463) is N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide is CCc1ccc2occ(CC(=O)NCc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is CLWFQKMDRBJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-2-13-7-8-18-16(9-13)15(12-23-18)10-19(22)21-11-14-5-3-4-6-17(14)20/h3-9,12H,2,10-11H2,1H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18872463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).