N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C19H19Cl2NO3 — CID 42925134

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-12(15-5-4-14(20)11-16(15)21)22-19(23)7-3-13-2-6-17-18(10-13)25-9-8-24-17/h2,4-6,10-12H,3,7-9H2,1H3,(H,22,23)
InChIKeyXKMTVPZKCIHBRK-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 42925134) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID42925134
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO3/c1-12(15-5-4-14(20)11-16(15)21)22-19(23)7-3-13-2-6-17-18(10-13)25-9-8-24-17/h2,4-6,10-12H,3,7-9H2,1H3,(H,22,23)
InChIKeyXKMTVPZKCIHBRK-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 4790552
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
3-(3-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 51277981
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 99132994
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 99132993
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide
CID 7976701
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
CID 133185949
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 99866264

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 42925134) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is XKMTVPZKCIHBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-12(15-5-4-14(20)11-16(15)21)22-19(23)7-3-13-2-6-17-18(10-13)25-9-8-24-17/h2,4-6,10-12H,3,7-9H2,1H3,(H,22,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 380.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 42925134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).