N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride

C7H14ClFN2O — CID 130629041

IUPACN-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCCNC(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C7H13FN2O.ClH/c1-2-10-6(11)7(8)3-4-9-5-7;/h9H,2-5H2,1H3,(H,10,11);1H
InChIKeyREFZQINIAOHNSJ-UHFFFAOYSA-N
MW196.65 g/mol
LogP0.25
Rot. Bonds2

About N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride

N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130629041) has the molecular formula C7H14ClFN2O and a molecular weight of 196.65 g/mol. Its IUPAC name is N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
PubChem CID130629041
Molecular FormulaC7H14ClFN2O
Molecular Weight196.65 g/mol
Exact Mass196.08
IUPAC NameN-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
SMILESCCNC(=O)C1(F)CCNC1.Cl
InChIInChI=1S/C7H13FN2O.ClH/c1-2-10-6(11)7(8)3-4-9-5-7;/h9H,2-5H2,1H3,(H,10,11);1H
InChIKeyREFZQINIAOHNSJ-UHFFFAOYSA-N
XLogP0.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 75513772
N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176683431
N-ethyl-3-fluoro-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130735533
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
(3R)-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 124673250
(3R)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
CID 129410919
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride (CID 130629041) is N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride is CCNC(=O)C1(F)CCNC1.Cl.
What is the InChIKey of N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is REFZQINIAOHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O.ClH/c1-2-10-6(11)7(8)3-4-9-5-7;/h9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 196.65 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130629041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).