5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C15H15Cl2NO3 — CID 891619

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO3/c1-9(2)18-15(19)13-6-4-11(21-13)8-20-14-7-10(16)3-5-12(14)17/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyYQLVADFPWMSRRH-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.30
Rot. Bonds5

About 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 891619) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID891619
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H15Cl2NO3/c1-9(2)18-15(19)13-6-4-11(21-13)8-20-14-7-10(16)3-5-12(14)17/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyYQLVADFPWMSRRH-UHFFFAOYSA-N
XLogP4.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N,N-diethyl-2-furamide
CID 717151
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
N-[2-(4-chlorophenoxy)ethyl]furan-2-carboxamide
CID 2302650
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)-2-furamide
CID 6490920
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)furan-2-carboxamide
CID 6490921
2-(2,4-dichlorophenoxy)-N-(2-furanylmethyl)acetamide
CID 644503
(5-((2,5-Dichlorophenoxy)methyl)furan-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1084337
N-cyclopropyl-5-[(4-fluorophenoxy)methyl]-2-furamide
CID 3245602
N-(tert-butyl)-5-[(2,4-dichlorophenoxy)methyl]-2-furamide
CID 716996
(5-((2-Chlorophenoxy)methyl)furan-2-yl)(4-methylpiperidin-1-yl)methanone
CID 3243500
5-((4-Chlorophenoxy)methyl)-N-propyl-2-furancarboxamide
CID 3157082
(5-((2-Chlorophenoxy)methyl)furan-2-yl)(2,6-dimethylmorpholino)methanone
CID 6457907

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 891619) is 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is YQLVADFPWMSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-9(2)18-15(19)13-6-4-11(21-13)8-20-14-7-10(16)3-5-12(14)17/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).