2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

C17H15Cl2NO3 — CID 42951852

IUPAC2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H15Cl2NO3/c1-10(23-16-4-2-12(18)9-14(16)19)17(21)20-13-3-5-15-11(8-13)6-7-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyIPYTXAZYGXDDKZ-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.33
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (PubChem CID 42951852) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
PubChem CID42951852
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C17H15Cl2NO3/c1-10(23-16-4-2-12(18)9-14(16)19)17(21)20-13-3-5-15-11(8-13)6-7-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyIPYTXAZYGXDDKZ-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dichlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 40793024
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 7610324
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide (CID 42951852) is 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The InChIKey is IPYTXAZYGXDDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-10(23-16-4-2-12(18)9-14(16)19)17(21)20-13-3-5-15-11(8-13)6-7-22-15/h2-5,8-10H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide has a molecular weight of 352.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 42951852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).