N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride

C14H19ClFN3O2 — CID 119631292

IUPACN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCCC2CN)c1.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-6-2-3-11(18)8-16;/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,19);1H
InChIKeyVPFRPAJXHPSOPW-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.77
Rot. Bonds3

About N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride

N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride (PubChem CID 119631292) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
PubChem CID119631292
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(C(=O)N2CCCC2CN)c1.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-6-2-3-11(18)8-16;/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,19);1H
InChIKeyVPFRPAJXHPSOPW-UHFFFAOYSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
CID 120580225
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119469857
1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119634190
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656
N-[3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-4-fluorophenyl]acetamide
CID 94636307
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119395231
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119632784
N-[4-fluoro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 119395232

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride (CID 119631292) is N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(F)c(C(=O)N2CCCC2CN)c1.Cl.
What is the InChIKey of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
The InChIKey is VPFRPAJXHPSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c1-9(19)17-10-4-5-13(15)12(7-10)14(20)18-6-2-3-11(18)8-16;/h4-5,7,11H,2-3,6,8,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride?
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119631292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).