3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride

C7H14ClFN2O — CID 130643464

IUPAC3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C7H13FN2O.ClH/c1-10(2)6(11)7(8)3-4-9-5-7;/h9H,3-5H2,1-2H3;1H
InChIKeyZLUCWSJHCFXMAY-UHFFFAOYSA-N
MW196.65 g/mol
LogP0.20
Rot. Bonds1

About 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride

3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130643464) has the molecular formula C7H14ClFN2O and a molecular weight of 196.65 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130643464
Molecular FormulaC7H14ClFN2O
Molecular Weight196.65 g/mol
Exact Mass196.08
IUPAC Name3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C7H13FN2O.ClH/c1-10(2)6(11)7(8)3-4-9-5-7;/h9H,3-5H2,1-2H3;1H
InChIKeyZLUCWSJHCFXMAY-UHFFFAOYSA-N
XLogP0.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
CID 129410919
N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130735533
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
3-(dimethylamino)-N,N-dimethylpyrrolidine-3-carboxamide
CID 84769822
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
(3S)-3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 125146122
(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
(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
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130643749
4-methoxy-N,N-dimethylpiperidine-4-carboxamide
CID 84660627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride (CID 130643464) is 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride is CN(C)C(=O)C1(F)CCNC1.Cl.
What is the InChIKey of 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZLUCWSJHCFXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O.ClH/c1-10(2)6(11)7(8)3-4-9-5-7;/h9H,3-5H2,1-2H3;1H.
What are the key properties of 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 196.65 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130643464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).