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

C18H11Cl4NO3 — CID 1269599

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C18H11Cl4NO3/c19-10-4-6-12(20)16(8-10)25-9-11-5-7-15(26-11)18(24)23-14-3-1-2-13(21)17(14)22/h1-8H,9H2,(H,23,24)
InChIKeyRNVPAQHHBBTXEU-UHFFFAOYSA-N
MW431.10 g/mol
LogP6.72
Rot. Bonds5

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

5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 1269599) has the molecular formula C18H11Cl4NO3 and a molecular weight of 431.10 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID1269599
Molecular FormulaC18H11Cl4NO3
Molecular Weight431.10 g/mol
Exact Mass428.95
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C18H11Cl4NO3/c19-10-4-6-12(20)16(8-10)25-9-11-5-7-15(26-11)18(24)23-14-3-1-2-13(21)17(14)22/h1-8H,9H2,(H,23,24)
InChIKeyRNVPAQHHBBTXEU-UHFFFAOYSA-N
XLogP6.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.10
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
methyl 3-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 1009164
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide (CID 1269599) is 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is RNVPAQHHBBTXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4NO3/c19-10-4-6-12(20)16(8-10)25-9-11-5-7-15(26-11)18(24)23-14-3-1-2-13(21)17(14)22/h1-8H,9H2,(H,23,24).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 431.10 g/mol, XLogP of 6.72, 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-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1269599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).