N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride

C8H16ClFN2O — CID 130735533

IUPACN-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C)C(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C8H15FN2O.ClH/c1-3-11(2)7(12)8(9)4-5-10-6-8;/h10H,3-6H2,1-2H3;1H
InChIKeyFZXZUERMKDOHAV-UHFFFAOYSA-N
MW210.68 g/mol
LogP0.59
Rot. Bonds2

About N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride

N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130735533) has the molecular formula C8H16ClFN2O and a molecular weight of 210.68 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130735533
Molecular FormulaC8H16ClFN2O
Molecular Weight210.68 g/mol
Exact Mass210.09
IUPAC NameN-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C)C(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C8H15FN2O.ClH/c1-3-11(2)7(12)8(9)4-5-10-6-8;/h10H,3-6H2,1-2H3;1H
InChIKeyFZXZUERMKDOHAV-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
(3R)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
CID 129410919
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 125146122
(3S)-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 125147439
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 75513772
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 130735533) is N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride is CCN(C)C(=O)C1(F)CCNC1.Cl.
What is the InChIKey of N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FZXZUERMKDOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O.ClH/c1-3-11(2)7(12)8(9)4-5-10-6-8;/h10H,3-6H2,1-2H3;1H.
What are the key properties of N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 210.68 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130735533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).