N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C19H27FN2O2 — CID 131930916

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2/c20-16-6-8-17(9-7-16)24-15-12-21-18(23)19(10-2-1-3-11-19)22-13-4-5-14-22/h6-9H,1-5,10-15H2,(H,21,23)
InChIKeyBPSCIXCBNVADHQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131930916) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131930916
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2/c20-16-6-8-17(9-7-16)24-15-12-21-18(23)19(10-2-1-3-11-19)22-13-4-5-14-22/h6-9H,1-5,10-15H2,(H,21,23)
InChIKeyBPSCIXCBNVADHQ-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[3-(2-fluorophenyl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131912090
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
1-[2-(4-fluorophenoxy)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743958
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979261
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
N-(3-cyclopentyloxypropyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122570338
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 60506751
N-[2-(1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122560463

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131930916) is N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NCCOc1ccc(F)cc1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is BPSCIXCBNVADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-16-6-8-17(9-7-16)24-15-12-21-18(23)19(10-2-1-3-11-19)22-13-4-5-14-22/h6-9H,1-5,10-15H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131930916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).