N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C20H19FN2O3 — CID 78776389

IUPACN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H19FN2O3/c1-23(2)16-7-5-15(6-8-16)22-20(24)19-12-11-18(26-19)13-25-17-9-3-14(21)4-10-17/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOCYACIZBATVBKI-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 78776389) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID78776389
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H19FN2O3/c1-23(2)16-7-5-15(6-8-16)22-20(24)19-12-11-18(26-19)13-25-17-9-3-14(21)4-10-17/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyOCYACIZBATVBKI-UHFFFAOYSA-N
XLogP4.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide 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

5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43072047
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
5-[(4-fluorophenoxy)methyl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]furan-2-carboxamide
CID 55371736
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 78776389) is N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is OCYACIZBATVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-23(2)16-7-5-15(6-8-16)22-20(24)19-12-11-18(26-19)13-25-17-9-3-14(21)4-10-17/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 78776389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).