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

C17H19Cl2NO2 — CID 57328633

IUPACN-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C17H19Cl2NO2/c1-5-10-9-22-15(11-6-7-12(18)13(19)8-11)14(10)16(21)20-17(2,3)4/h5-8,15H,1,9H2,2-4H3,(H,20,21)
InChIKeyJIWSZCMXMZJQOI-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.46
Rot. Bonds3

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

N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328633) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
PubChem CID57328633
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC NameN-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C17H19Cl2NO2/c1-5-10-9-22-15(11-6-7-12(18)13(19)8-11)14(10)16(21)20-17(2,3)4/h5-8,15H,1,9H2,2-4H3,(H,20,21)
InChIKeyJIWSZCMXMZJQOI-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-4-ethenyl-N-phenyl-2,5-dihydrofuran-3-carboxamide
CID 57328562
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-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328631
2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
CID 57328632
2-[(3,4-Dichlorophenyl)-methoxymethyl]pent-4-enamide
CID 53725185
3,4-dichloro-N-(2-methyl-1-phenylmethoxypropan-2-yl)benzamide
CID 84420203
3-(4-chlorophenyl)-3-hydroxy-N-[1-(2-methoxyethyl)cyclopentyl]propanamide
CID 109957277
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
CID 110135260
N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
CID 110135261
N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide
CID 110135262
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155080

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide (CID 57328633) is N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NC(C)(C)C)C(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The InChIKey is JIWSZCMXMZJQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-5-10-9-22-15(11-6-7-12(18)13(19)8-11)14(10)16(21)20-17(2,3)4/h5-8,15H,1,9H2,2-4H3,(H,20,21).
What are the key properties of N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).