N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide

C25H33FN2O5 — CID 56597590

IUPACN-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C25H33FN2O5/c26-24-8-4-3-7-23(24)25(30)28-14-13-27-17-19(29)18-33-22-11-9-21(10-12-22)32-16-15-31-20-5-1-2-6-20/h3-4,7-12,19-20,27,29H,1-2,5-6,13-18H2,(H,28,30)
InChIKeyARTCAADAEHMOQX-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.92
Rot. Bonds14

About N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide

N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide (PubChem CID 56597590) has the molecular formula C25H33FN2O5 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
PubChem CID56597590
Molecular FormulaC25H33FN2O5
Molecular Weight460.55 g/mol
Exact Mass460.24
IUPAC NameN-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C25H33FN2O5/c26-24-8-4-3-7-23(24)25(30)28-14-13-27-17-19(29)18-33-22-11-9-21(10-12-22)32-16-15-31-20-5-1-2-6-20/h3-4,7-12,19-20,27,29H,1-2,5-6,13-18H2,(H,28,30)
InChIKeyARTCAADAEHMOQX-UHFFFAOYSA-N
XLogP2.92
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea
CID 56597319
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(3-methylphenyl)urea
CID 56599098
1-(3-chlorophenyl)-3-[2-[[(2R)-3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]urea
CID 56598568
4-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]-N-phenylbutanamide
CID 56597316
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
[1-[2-[[2-hydroxy-3-[4-[2-(2-methylpropoxy)ethoxy]phenoxy]propyl]amino]ethylcarbamoyl]piperidin-4-yl] 2-methylpropanoate
CID 57072379
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
tert-butyl N-[2-[benzyl-[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]carbamate
CID 86698164
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide (CID 56597590) is N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide is O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)c1ccccc1F.
What is the InChIKey of N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide?
The InChIKey is ARTCAADAEHMOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O5/c26-24-8-4-3-7-23(24)25(30)28-14-13-27-17-19(29)18-33-22-11-9-21(10-12-22)32-16-15-31-20-5-1-2-6-20/h3-4,7-12,19-20,27,29H,1-2,5-6,13-18H2,(H,28,30).
What are the key properties of N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide?
N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide has a molecular weight of 460.55 g/mol, XLogP of 2.92, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 56597590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).