N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride

C13H17ClFN3O2 — CID 119409656

IUPACN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C13H16FN3O2.ClH/c1-8(18)16-10-2-3-12(14)11(6-10)13(19)17-5-4-9(15)7-17;/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,18);1H/t9-;/m1./s1
InChIKeyVYBQHIQNLSOIPK-SBSPUUFOSA-N
MW301.75 g/mol
LogP1.38
Rot. Bonds2

About N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride (PubChem CID 119409656) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
PubChem CID119409656
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C13H16FN3O2.ClH/c1-8(18)16-10-2-3-12(14)11(6-10)13(19)17-5-4-9(15)7-17;/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,18);1H/t9-;/m1./s1
InChIKeyVYBQHIQNLSOIPK-SBSPUUFOSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119395231
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 119395232
1-(5-acetamido-2-fluorobenzoyl)piperidine-4-carboxylic acid
CID 119349532
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-fluorophenyl]acetamide
CID 120655506
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride (CID 119409656) is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@H](N)C2)c1.Cl.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The InChIKey is VYBQHIQNLSOIPK-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H16FN3O2.ClH/c1-8(18)16-10-2-3-12(14)11(6-10)13(19)17-5-4-9(15)7-17;/h2-3,6,9H,4-5,7,15H2,1H3,(H,16,18);1H/t9-;/m1./s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride has a molecular weight of 301.75 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119409656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).