N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide

C15H15Cl2NO3 — CID 111452382

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO3/c1-2-9-6-7-13(21-9)15(20)18-8-12(19)14-10(16)4-3-5-11(14)17/h3-7,12,19H,2,8H2,1H3,(H,18,20)
InChIKeyJWAYRXCYFZKDAA-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide (PubChem CID 111452382) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.19 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
PubChem CID111452382
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO3/c1-2-9-6-7-13(21-9)15(20)18-8-12(19)14-10(16)4-3-5-11(14)17/h3-7,12,19H,2,8H2,1H3,(H,18,20)
InChIKeyJWAYRXCYFZKDAA-UHFFFAOYSA-N
XLogP3.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide (CID 111452382) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCC(O)c2c(Cl)cccc2Cl)o1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The InChIKey is JWAYRXCYFZKDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-2-9-6-7-13(21-9)15(20)18-8-12(19)14-10(16)4-3-5-11(14)17/h3-7,12,19H,2,8H2,1H3,(H,18,20).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide has a molecular weight of 328.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 111452382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).