5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide

C23H24ClNO5 — CID 19446192

IUPAC5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1OCC
InChIInChI=1S/C23H24ClNO5/c1-3-27-20-10-8-16(12-22(20)28-4-2)14-25-23(26)21-11-9-19(30-21)15-29-18-7-5-6-17(24)13-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKeyNBQBKDQWEYBIQW-UHFFFAOYSA-N
MW429.90 g/mol
LogP5.24
Rot. Bonds10

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

5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 19446192) has the molecular formula C23H24ClNO5 and a molecular weight of 429.90 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID19446192
Molecular FormulaC23H24ClNO5
Molecular Weight429.90 g/mol
Exact Mass429.13
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1OCC
InChIInChI=1S/C23H24ClNO5/c1-3-27-20-10-8-16(12-22(20)28-4-2)14-25-23(26)21-11-9-19(30-21)15-29-18-7-5-6-17(24)13-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKeyNBQBKDQWEYBIQW-UHFFFAOYSA-N
XLogP5.24
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(3,4-diethoxyphenyl)methylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19449066
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292519
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
5-[(2,3-dichlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]furan-2-carboxamide
CID 19415798
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide (CID 19446192) is 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CNC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1OCC.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is NBQBKDQWEYBIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO5/c1-3-27-20-10-8-16(12-22(20)28-4-2)14-25-23(26)21-11-9-19(30-21)15-29-18-7-5-6-17(24)13-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,26).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 429.90 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).