N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide

C20H29FN2O2 — CID 86963688

IUPACN-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-2-3-6-13-23(15-16-9-11-18(21)12-10-16)19(24)14-22-20(25)17-7-4-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,22,25)
InChIKeyDMYXEDFZWYFXEY-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.65
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 86963688) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID86963688
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCC1
InChIInChI=1S/C20H29FN2O2/c1-2-3-6-13-23(15-16-9-11-18(21)12-10-16)19(24)14-22-20(25)17-7-4-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,22,25)
InChIKeyDMYXEDFZWYFXEY-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 50952079
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-fluorophenyl)methyl]-N-pentylacetamide
CID 87013763
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
N-[(4-fluorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 46599435
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119304521
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide (CID 86963688) is N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide is CCCCCN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCC1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is DMYXEDFZWYFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-2-3-6-13-23(15-16-9-11-18(21)12-10-16)19(24)14-22-20(25)17-7-4-5-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86963688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).