2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide

C18H21Cl2NO2 — CID 57328631

IUPAC2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCCCC)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C18H21Cl2NO2/c1-3-5-6-9-21-18(22)16-12(4-2)11-23-17(16)13-7-8-14(19)15(20)10-13/h4,7-8,10,17H,2-3,5-6,9,11H2,1H3,(H,21,22)
InChIKeyJJSOLJAHGWHYBA-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.85
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide

2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328631) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide
PubChem CID57328631
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCCCC)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C18H21Cl2NO2/c1-3-5-6-9-21-18(22)16-12(4-2)11-23-17(16)13-7-8-14(19)15(20)10-13/h4,7-8,10,17H,2-3,5-6,9,11H2,1H3,(H,21,22)
InChIKeyJJSOLJAHGWHYBA-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66976242
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]butanamide;hydrochloride
CID 66975003
(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66975647
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
CID 66975759
(6R,7R)-7-(3,4-dichlorophenyl)-N-methyl-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66976746
N-[(4-chlorophenyl)methyl]-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328484
N-benzyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
CID 57328629
2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328630
2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
CID 57328632
N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
CID 57328633
2-Amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75429800
[3-(Methylamino)-3-oxopropyl] 3,4-dichlorobenzoate
CID 71978777

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide (CID 57328631) is 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCCCC)C(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide?
The InChIKey is JJSOLJAHGWHYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c1-3-5-6-9-21-18(22)16-12(4-2)11-23-17(16)13-7-8-14(19)15(20)10-13/h4,7-8,10,17H,2-3,5-6,9,11H2,1H3,(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide?
2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide has a molecular weight of 354.28 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-ethenyl-N-pentyl-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).