N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide

C26H22F3N3O4 — CID 68735071

IUPACN-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(OCCCN(C(=O)c2cc3ccccc3o2)C(F)(F)F)cc1
InChIInChI=1S/C26H22F3N3O4/c27-26(28,29)32(25(34)23-16-18-6-1-4-9-22(18)36-23)14-5-15-35-19-12-10-17(11-13-19)24(33)31-21-8-3-2-7-20(21)30/h1-4,6-13,16H,5,14-15,30H2,(H,31,33)
InChIKeyJMEZWFPJVAWCAB-UHFFFAOYSA-N
MW497.47 g/mol
LogP5.70
Rot. Bonds8

About N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide

N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide (PubChem CID 68735071) has the molecular formula C26H22F3N3O4 and a molecular weight of 497.47 g/mol. Its IUPAC name is N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
PubChem CID68735071
Molecular FormulaC26H22F3N3O4
Molecular Weight497.47 g/mol
Exact Mass497.16
IUPAC NameN-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(OCCCN(C(=O)c2cc3ccccc3o2)C(F)(F)F)cc1
InChIInChI=1S/C26H22F3N3O4/c27-26(28,29)32(25(34)23-16-18-6-1-4-9-22(18)36-23)14-5-15-35-19-12-10-17(11-13-19)24(33)31-21-8-3-2-7-20(21)30/h1-4,6-13,16H,5,14-15,30H2,(H,31,33)
InChIKeyJMEZWFPJVAWCAB-UHFFFAOYSA-N
XLogP5.70
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-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-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
CID 87553933
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-[(2-hydroxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 68734084
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-6-(trifluoromethoxymethyl)-1-benzofuran-2-carboxamide
CID 68733776
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-7-fluoro-N-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 68771472
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-(piperidin-1-ylmethyl)-7-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68734828
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-6-methyl-N-(piperazin-1-ylmethyl)-1-benzofuran-2-carboxamide
CID 68734788
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
N-(2-aminophenyl)-4-[3-[formyl-[3-(methoxymethyl)-1-benzofuran-2-yl]amino]propoxy]benzamide
CID 87554238
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 68733651
N-(2-aminophenyl)-4-[2-[(5-ethyl-1-benzofuran-2-yl)-formylamino]ethoxy]benzamide;N-(2-aminophenyl)-4-[2-[formyl-(5-propyl-1-benzofuran-2-yl)amino]ethoxy]benzamide
CID 87554860

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide (CID 68735071) is N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(OCCCN(C(=O)c2cc3ccccc3o2)C(F)(F)F)cc1.
What is the InChIKey of N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JMEZWFPJVAWCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4/c27-26(28,29)32(25(34)23-16-18-6-1-4-9-22(18)36-23)14-5-15-35-19-12-10-17(11-13-19)24(33)31-21-8-3-2-7-20(21)30/h1-4,6-13,16H,5,14-15,30H2,(H,31,33).
What are the key properties of N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide?
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide has a molecular weight of 497.47 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 68735071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).