N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide

C18H15Cl2NO3 — CID 71229586

IUPACN-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(24-17-5-3-14(19)9-15(17)20)18(22)21-10-12-2-4-16-13(8-12)6-7-23-16/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyMQZHYBHBSBYGJH-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.82
Rot. Bonds5

About N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide

N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 71229586) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID71229586
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC NameN-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1
InChIInChI=1S/C18H15Cl2NO3/c1-11(24-17-5-3-14(19)9-15(17)20)18(22)21-10-12-2-4-16-13(8-12)6-7-23-16/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyMQZHYBHBSBYGJH-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521599
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide (CID 71229586) is N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is MQZHYBHBSBYGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-11(24-17-5-3-14(19)9-15(17)20)18(22)21-10-12-2-4-16-13(8-12)6-7-23-16/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide?
N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 364.23 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 71229586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).