5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide

C29H27Cl2NO6 — CID 19415798

IUPAC5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)cc2)cc1OCC
InChIInChI=1S/C29H27Cl2NO6/c1-3-34-24-14-8-19(16-27(24)35-4-2)17-36-21-11-9-20(10-12-21)32-29(33)26-15-13-22(38-26)18-37-25-7-5-6-23(30)28(25)31/h5-16H,3-4,17-18H2,1-2H3,(H,32,33)
InChIKeySPPGNKSBROCHCL-UHFFFAOYSA-N
MW556.44 g/mol
LogP7.79
Rot. Bonds12

About 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide

5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide (PubChem CID 19415798) has the molecular formula C29H27Cl2NO6 and a molecular weight of 556.44 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
PubChem CID19415798
Molecular FormulaC29H27Cl2NO6
Molecular Weight556.44 g/mol
Exact Mass555.12
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)cc2)cc1OCC
InChIInChI=1S/C29H27Cl2NO6/c1-3-34-24-14-8-19(16-27(24)35-4-2)17-36-21-11-9-20(10-12-21)32-29(33)26-15-13-22(38-26)18-37-25-7-5-6-23(30)28(25)31/h5-16H,3-4,17-18H2,1-2H3,(H,32,33)
InChIKeySPPGNKSBROCHCL-UHFFFAOYSA-N
XLogP7.79
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.44
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446908
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413402
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide (CID 19415798) is 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide is CCOc1ccc(COc2ccc(NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)cc2)cc1OCC.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide?
The InChIKey is SPPGNKSBROCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2NO6/c1-3-34-24-14-8-19(16-27(24)35-4-2)17-36-21-11-9-20(10-12-21)32-29(33)26-15-13-22(38-26)18-37-25-7-5-6-23(30)28(25)31/h5-16H,3-4,17-18H2,1-2H3,(H,32,33).
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide?
5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide has a molecular weight of 556.44 g/mol, XLogP of 7.79, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 19415798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).