N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C26H22ClNO5 — CID 21047813

IUPACN-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)c1
InChIInChI=1S/C26H22ClNO5/c1-30-22-11-13-24(31-2)17(15-22)16-23-12-14-25(33-23)26(29)28-19-5-9-21(10-6-19)32-20-7-3-18(27)4-8-20/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyPIAURQZSDZBDDA-UHFFFAOYSA-N
MW463.92 g/mol
LogP6.59
Rot. Bonds8

About N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047813) has the molecular formula C26H22ClNO5 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047813
Molecular FormulaC26H22ClNO5
Molecular Weight463.92 g/mol
Exact Mass463.12
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)c1
InChIInChI=1S/C26H22ClNO5/c1-30-22-11-13-24(31-2)17(15-22)16-23-12-14-25(33-23)26(29)28-19-5-9-21(10-6-19)32-20-7-3-18(27)4-8-20/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyPIAURQZSDZBDDA-UHFFFAOYSA-N
XLogP6.59
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047196
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
1-chloro-4-methoxybenzene;ethyl 5-[(5-chloro-2-methoxyphenyl)methyl]furan-2-carboxylate;ethyl 5-(chloromethyl)furan-2-carboxylate
CID 158280347
5-[(2,5-dimethoxyphenyl)methyl]-N-[5-(methylsulfamoyl)naphthalen-1-yl]furan-2-carboxamide
CID 21046046

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047813) is N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)c1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is PIAURQZSDZBDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5/c1-30-22-11-13-24(31-2)17(15-22)16-23-12-14-25(33-23)26(29)28-19-5-9-21(10-6-19)32-20-7-3-18(27)4-8-20/h3-15H,16H2,1-2H3,(H,28,29).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 463.92 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).