N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide

C27H32FN3O4 — CID 20925789

IUPACN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C27H32FN3O4/c1-3-34-18-8-15-30(2)19-13-16-31(17-14-19)27(33)25-24(21-10-5-7-12-23(21)35-25)29-26(32)20-9-4-6-11-22(20)28/h4-7,9-12,19H,3,8,13-18H2,1-2H3,(H,29,32)
InChIKeyPUHHIIYKLUSLLJ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.79
Rot. Bonds9

About N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide (PubChem CID 20925789) has the molecular formula C27H32FN3O4 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
PubChem CID20925789
Molecular FormulaC27H32FN3O4
Molecular Weight481.57 g/mol
Exact Mass481.24
IUPAC NameN-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
SMILESCCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C27H32FN3O4/c1-3-34-18-8-15-30(2)19-13-16-31(17-14-19)27(33)25-24(21-10-5-7-12-23(21)35-25)29-26(32)20-9-4-6-11-22(20)28/h4-7,9-12,19H,3,8,13-18H2,1-2H3,(H,29,32)
InChIKeyPUHHIIYKLUSLLJ-UHFFFAOYSA-N
XLogP4.79
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclopropanecarboxamide
CID 20925775
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-(4-fluorophenyl)acetamide
CID 20925820
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925897
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
2-ethoxy-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926220
2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925978
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
2-methoxy-N-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925967
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide (CID 20925789) is N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide is CCOCCCN(C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide?
The InChIKey is PUHHIIYKLUSLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O4/c1-3-34-18-8-15-30(2)19-13-16-31(17-14-19)27(33)25-24(21-10-5-7-12-23(21)35-25)29-26(32)20-9-4-6-11-22(20)28/h4-7,9-12,19H,3,8,13-18H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide?
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide has a molecular weight of 481.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 20925789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).