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

C17H15Cl2NO2 — CID 5055071

IUPACN-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO2/c18-13-3-4-15(14(19)10-13)20-17(21)6-2-11-1-5-16-12(9-11)7-8-22-16/h1,3-5,9-10H,2,6-8H2,(H,20,21)
InChIKeyBEXGJIYSTNMRPJ-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.50
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide (PubChem CID 5055071) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
PubChem CID5055071
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO2/c18-13-3-4-15(14(19)10-13)20-17(21)6-2-11-1-5-16-12(9-11)7-8-22-16/h1,3-5,9-10H,2,6-8H2,(H,20,21)
InChIKeyBEXGJIYSTNMRPJ-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 51309755
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
N-(4-acetylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 53352123
3-(3-amino-4-hydroxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 19038227
1-(3-chlorophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 65446055
N-(2,3-dihydro-1-benzofuran-5-yl)-3-naphthalen-2-ylpropanamide
CID 112844361
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylacetamide
CID 55486874
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhex-4-en-3-one
CID 103455479
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
1-(2-chloro-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65446250
N-(5-chloro-2-methylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9126526

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide (CID 5055071) is N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide is O=C(CCc1ccc2c(c1)CCO2)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
The InChIKey is BEXGJIYSTNMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-3-4-15(14(19)10-13)20-17(21)6-2-11-1-5-16-12(9-11)7-8-22-16/h1,3-5,9-10H,2,6-8H2,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide has a molecular weight of 336.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 5055071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).