N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide

C22H19Cl2N3O5 — CID 121062756

IUPACN-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19Cl2N3O5/c23-15-5-8-18(17(24)12-15)32-13-20(28)27-16-6-3-14(4-7-16)21(29)25-9-10-26-22(30)19-2-1-11-31-19/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyYERRHCCYRMQPPA-UHFFFAOYSA-N
MW476.32 g/mol
LogP3.76
Rot. Bonds9

About N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062756) has the molecular formula C22H19Cl2N3O5 and a molecular weight of 476.32 g/mol. Its IUPAC name is N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062756
Molecular FormulaC22H19Cl2N3O5
Molecular Weight476.32 g/mol
Exact Mass475.07
IUPAC NameN-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19Cl2N3O5/c23-15-5-8-18(17(24)12-15)32-13-20(28)27-16-6-3-14(4-7-16)21(29)25-9-10-26-22(30)19-2-1-11-31-19/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyYERRHCCYRMQPPA-UHFFFAOYSA-N
XLogP3.76
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.32
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]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

N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062746
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218208
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062756) is N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is YERRHCCYRMQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O5/c23-15-5-8-18(17(24)12-15)32-13-20(28)27-16-6-3-14(4-7-16)21(29)25-9-10-26-22(30)19-2-1-11-31-19/h1-8,11-12H,9-10,13H2,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 476.32 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).