N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide

C20H16Cl3NO3 — CID 3416642

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H16Cl3NO3/c21-14-3-1-13(2-4-14)9-10-24-20(25)18-8-6-16(27-18)12-26-19-11-15(22)5-7-17(19)23/h1-8,11H,9-10,12H2,(H,24,25)
InChIKeyBPTADFZAROHRNZ-UHFFFAOYSA-N
MW424.71 g/mol
LogP5.79
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 3416642) has the molecular formula C20H16Cl3NO3 and a molecular weight of 424.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID3416642
Molecular FormulaC20H16Cl3NO3
Molecular Weight424.71 g/mol
Exact Mass423.02
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H16Cl3NO3/c21-14-3-1-13(2-4-14)9-10-24-20(25)18-8-6-16(27-18)12-26-19-11-15(22)5-7-17(19)23/h1-8,11H,9-10,12H2,(H,24,25)
InChIKeyBPTADFZAROHRNZ-UHFFFAOYSA-N
XLogP5.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 1269671
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
CID 4748157
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide (CID 3416642) is N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is BPTADFZAROHRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO3/c21-14-3-1-13(2-4-14)9-10-24-20(25)18-8-6-16(27-18)12-26-19-11-15(22)5-7-17(19)23/h1-8,11H,9-10,12H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 424.71 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 3416642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).