5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide

C16H18ClNO3 — CID 717151

IUPAC5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO3/c1-3-18(4-2)16(19)15-10-9-12(21-15)11-20-14-8-6-5-7-13(14)17/h5-10H,3-4,11H2,1-2H3
InChIKeyPHKHHVJRFPMLMR-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.99
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide (PubChem CID 717151) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide
PubChem CID717151
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO3/c1-3-18(4-2)16(19)15-10-9-12(21-15)11-20-14-8-6-5-7-13(14)17/h5-10H,3-4,11H2,1-2H3
InChIKeyPHKHHVJRFPMLMR-UHFFFAOYSA-N
XLogP3.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N,N-diethylfuran-2-carboxamide
CID 892508
1-{5-[(2-Chlorophenoxy)methyl]-2-furoyl}-4-phenylpiperazine
CID 1012319
5-((2-Chlorophenoxy)methyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 717159
5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
CID 891619
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)-2-furamide
CID 6490920
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)furan-2-carboxamide
CID 6490921
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}pyrrolidine
CID 892182
(5-((2,5-Dichlorophenoxy)methyl)furan-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1084337
4-{5-[(2-Methoxyphenoxy)methyl]-2-furoyl}morpholine
CID 2193011
5-[(2-methoxyphenoxy)methyl]-N,N-dimethyl-2-furamide
CID 4170344
N-(tert-butyl)-5-[(2,4-dichlorophenoxy)methyl]-2-furamide
CID 716996
1-{5-[(4-Ethoxyphenoxy)methyl]-2-furoyl}piperidine
CID 891661

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide (CID 717151) is 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide is CCN(CC)C(=O)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide?
The InChIKey is PHKHHVJRFPMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-3-18(4-2)16(19)15-10-9-12(21-15)11-20-14-8-6-5-7-13(14)17/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N,N-diethylfuran-2-carboxamide is sourced from PubChem (CID 717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).