N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide

C18H15Cl2NO3 — CID 8578495

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C18H15Cl2NO3/c1-11(16-8-12-4-2-3-5-15(12)24-16)21-18(22)10-23-17-9-13(19)6-7-14(17)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyPMKSOFIXFVNDCV-NSHDSACASA-N
MW364.23 g/mol
LogP5.00
Rot. Bonds5

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 8578495) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID8578495
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C18H15Cl2NO3/c1-11(16-8-12-4-2-3-5-15(12)24-16)21-18(22)10-23-17-9-13(19)6-7-14(17)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyPMKSOFIXFVNDCV-NSHDSACASA-N
XLogP5.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286406
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664503
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 9014368
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 8565719
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492350
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 18268262
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231041
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide (CID 8578495) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide is C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is PMKSOFIXFVNDCV-NSHDSACASA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-11(16-8-12-4-2-3-5-15(12)24-16)21-18(22)10-23-17-9-13(19)6-7-14(17)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 364.23 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 8578495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).