3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride

C16H26Cl2FN3O — CID 119861519

IUPAC3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)C1CCC(N)C1)c1ccccc1F.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-20(15-6-3-2-5-14(15)17)10-4-9-19-16(21)12-7-8-13(18)11-12;;/h2-3,5-6,12-13H,4,7-11,18H2,1H3,(H,19,21);2*1H
InChIKeyQQPLVJNXIVWTFN-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.74
Rot. Bonds6

About 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119861519) has the molecular formula C16H26Cl2FN3O and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119861519
Molecular FormulaC16H26Cl2FN3O
Molecular Weight366.31 g/mol
Exact Mass365.14
IUPAC Name3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)C1CCC(N)C1)c1ccccc1F.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-20(15-6-3-2-5-14(15)17)10-4-9-19-16(21)12-7-8-13(18)11-12;;/h2-3,5-6,12-13H,4,7-11,18H2,1H3,(H,19,21);2*1H
InChIKeyQQPLVJNXIVWTFN-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
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CID 55907767
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119861519) is 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride is CN(CCCNC(=O)C1CCC(N)C1)c1ccccc1F.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is QQPLVJNXIVWTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.2ClH/c1-20(15-6-3-2-5-14(15)17)10-4-9-19-16(21)12-7-8-13(18)11-12;;/h2-3,5-6,12-13H,4,7-11,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 366.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119861519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).