N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C21H20ClNO6 — CID 21048103

IUPACN-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(Cl)ccc3O)o2)c(OC)c1
InChIInChI=1S/C21H20ClNO6/c1-26-14-10-19(27-2)15(20(11-14)28-3)9-13-5-7-18(29-13)21(25)23-16-8-12(22)4-6-17(16)24/h4-8,10-11,24H,9H2,1-3H3,(H,23,25)
InChIKeyIMLUPCHHHRMPNW-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.51
Rot. Bonds7

About N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21048103) has the molecular formula C21H20ClNO6 and a molecular weight of 417.85 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21048103
Molecular FormulaC21H20ClNO6
Molecular Weight417.85 g/mol
Exact Mass417.10
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(Cl)ccc3O)o2)c(OC)c1
InChIInChI=1S/C21H20ClNO6/c1-26-14-10-19(27-2)15(20(11-14)28-3)9-13-5-7-18(29-13)21(25)23-16-8-12(22)4-6-17(16)24/h4-8,10-11,24H,9H2,1-3H3,(H,23,25)
InChIKeyIMLUPCHHHRMPNW-UHFFFAOYSA-N
XLogP4.51
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047451
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048254
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047825
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459751

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21048103) is N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3cc(Cl)ccc3O)o2)c(OC)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is IMLUPCHHHRMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO6/c1-26-14-10-19(27-2)15(20(11-14)28-3)9-13-5-7-18(29-13)21(25)23-16-8-12(22)4-6-17(16)24/h4-8,10-11,24H,9H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 417.85 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).