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

C16H17Cl2NO2 — CID 57328630

IUPAC2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCC)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C16H17Cl2NO2/c1-3-7-19-16(20)14-10(4-2)9-21-15(14)11-5-6-12(17)13(18)8-11/h4-6,8,15H,2-3,7,9H2,1H3,(H,19,20)
InChIKeyDZQGHRZQSYPKGW-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.07
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328630) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide
PubChem CID57328630
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCC)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C16H17Cl2NO2/c1-3-7-19-16(20)14-10(4-2)9-21-15(14)11-5-6-12(17)13(18)8-11/h4-6,8,15H,2-3,7,9H2,1H3,(H,19,20)
InChIKeyDZQGHRZQSYPKGW-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328631
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-propyl-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide (CID 57328630) is 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCC)C(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide?
The InChIKey is DZQGHRZQSYPKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-3-7-19-16(20)14-10(4-2)9-21-15(14)11-5-6-12(17)13(18)8-11/h4-6,8,15H,2-3,7,9H2,1H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide?
2-(3,4-dichlorophenyl)-4-ethenyl-N-propyl-2,5-dihydrofuran-3-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 4.07, 5 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-propyl-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).