N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride

C11H20ClFN2O — CID 75513772

IUPACN-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1(NC(=O)C2(F)CCNC2)CCC1.Cl
InChIInChI=1S/C11H19FN2O.ClH/c1-2-10(4-3-5-10)14-9(15)11(12)6-7-13-8-11;/h13H,2-8H2,1H3,(H,14,15);1H
InChIKeyIEJQKMQZHQWBMI-UHFFFAOYSA-N
MW250.74 g/mol
LogP1.56
Rot. Bonds3

About N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride

N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride (PubChem CID 75513772) has the molecular formula C11H20ClFN2O and a molecular weight of 250.74 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
PubChem CID75513772
Molecular FormulaC11H20ClFN2O
Molecular Weight250.74 g/mol
Exact Mass250.12
IUPAC NameN-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1(NC(=O)C2(F)CCNC2)CCC1.Cl
InChIInChI=1S/C11H19FN2O.ClH/c1-2-10(4-3-5-10)14-9(15)11(12)6-7-13-8-11;/h13H,2-8H2,1H3,(H,14,15);1H
InChIKeyIEJQKMQZHQWBMI-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.74
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981299
N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130735533
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
1-cyano-N-(1-ethylcyclobutyl)cyclohexane-1-carboxamide
CID 113488783
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride (CID 75513772) is N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride is CCC1(NC(=O)C2(F)CCNC2)CCC1.Cl.
What is the InChIKey of N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IEJQKMQZHQWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O.ClH/c1-2-10(4-3-5-10)14-9(15)11(12)6-7-13-8-11;/h13H,2-8H2,1H3,(H,14,15);1H.
What are the key properties of N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 250.74 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 75513772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).