N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide

C22H20ClNO5 — CID 9199644

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c(C=O)c1
InChIInChI=1S/C22H20ClNO5/c1-24(12-19-8-10-21(29-19)15-3-5-17(23)6-4-15)22(26)14-28-20-9-7-18(27-2)11-16(20)13-25/h3-11,13H,12,14H2,1-2H3
InChIKeyFOKRIRBQGWQOPI-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.46
Rot. Bonds8

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide (PubChem CID 9199644) has the molecular formula C22H20ClNO5 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
PubChem CID9199644
Molecular FormulaC22H20ClNO5
Molecular Weight413.86 g/mol
Exact Mass413.10
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c(C=O)c1
InChIInChI=1S/C22H20ClNO5/c1-24(12-19-8-10-21(29-19)15-3-5-17(23)6-4-15)22(26)14-28-20-9-7-18(27-2)11-16(20)13-25/h3-11,13H,12,14H2,1-2H3
InChIKeyFOKRIRBQGWQOPI-UHFFFAOYSA-N
XLogP4.46
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199652
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide
CID 9199660
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78768448
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550305
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24547671
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 24531370
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 9021349
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide (CID 9199644) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide is COc1ccc(OCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c(C=O)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide?
The InChIKey is FOKRIRBQGWQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5/c1-24(12-19-8-10-21(29-19)15-3-5-17(23)6-4-15)22(26)14-28-20-9-7-18(27-2)11-16(20)13-25/h3-11,13H,12,14H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide has a molecular weight of 413.86 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2-formyl-4-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 9199644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).