N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C18H26ClFN2O — CID 119821577

IUPACN-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNC1)N(CCc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C18H25FN2O.ClH/c19-16-5-3-4-14(12-16)9-11-21(17-6-1-2-7-17)18(22)15-8-10-20-13-15;/h3-5,12,15,17,20H,1-2,6-11,13H2;1H
InChIKeyBOYZIVOEIOBIPN-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.17
Rot. Bonds5

About N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119821577) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119821577
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC NameN-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNC1)N(CCc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C18H25FN2O.ClH/c19-16-5-3-4-14(12-16)9-11-21(17-6-1-2-7-17)18(22)15-8-10-20-13-15;/h3-5,12,15,17,20H,1-2,6-11,13H2;1H
InChIKeyBOYZIVOEIOBIPN-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333
2-[cyclopentyl(pyrrolidine-3-carbonyl)amino]acetic acid
CID 63005463
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793443
[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67338341

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119821577) is N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(C1CCNC1)N(CCc1cccc(F)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BOYZIVOEIOBIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c19-16-5-3-4-14(12-16)9-11-21(17-6-1-2-7-17)18(22)15-8-10-20-13-15;/h3-5,12,15,17,20H,1-2,6-11,13H2;1H.
What are the key properties of N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).