5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide

C19H14Cl3NO3 — CID 4139417

IUPAC5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H14Cl3NO3/c20-14-7-5-12(9-16(14)22)10-23-19(24)18-8-6-13(26-18)11-25-17-4-2-1-3-15(17)21/h1-9H,10-11H2,(H,23,24)
InChIKeyBUKOWBRRHCNJTK-UHFFFAOYSA-N
MW410.68 g/mol
LogP5.75
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide (PubChem CID 4139417) has the molecular formula C19H14Cl3NO3 and a molecular weight of 410.68 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
PubChem CID4139417
Molecular FormulaC19H14Cl3NO3
Molecular Weight410.68 g/mol
Exact Mass409.00
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H14Cl3NO3/c20-14-7-5-12(9-16(14)22)10-23-19(24)18-8-6-13(26-18)11-25-17-4-2-1-3-15(17)21/h1-9H,10-11H2,(H,23,24)
InChIKeyBUKOWBRRHCNJTK-UHFFFAOYSA-N
XLogP5.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660032
5-[(2-chlorophenoxy)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 95749531
5-[(2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458742
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide (CID 4139417) is 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide?
The InChIKey is BUKOWBRRHCNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO3/c20-14-7-5-12(9-16(14)22)10-23-19(24)18-8-6-13(26-18)11-25-17-4-2-1-3-15(17)21/h1-9H,10-11H2,(H,23,24).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide has a molecular weight of 410.68 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4139417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).