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

C20H18Cl2N2O3 — CID 1269649

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C20H18Cl2N2O3/c1-24(2)15-6-4-14(5-7-15)23-20(25)18-10-8-16(27-18)12-26-19-11-13(21)3-9-17(19)22/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVXHBXKYZZDJSBV-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.48
Rot. Bonds6

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

5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide (PubChem CID 1269649) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
PubChem CID1269649
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C20H18Cl2N2O3/c1-24(2)15-6-4-14(5-7-15)23-20(25)18-10-8-16(27-18)12-26-19-11-13(21)3-9-17(19)22/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyVXHBXKYZZDJSBV-UHFFFAOYSA-N
XLogP5.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]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

(4-chlorophenyl)-[4-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonylazanide
CID 4748157
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
methyl 3-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 1009164
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide (CID 1269649) is 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide?
The InChIKey is VXHBXKYZZDJSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-24(2)15-6-4-14(5-7-15)23-20(25)18-10-8-16(27-18)12-26-19-11-13(21)3-9-17(19)22/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide?
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide has a molecular weight of 405.28 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1269649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).