3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C16H26Cl2FN3O — CID 119886335

IUPAC3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cc(CNC(=O)C2CCC(N)C2)ccc1F.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-20(2)10-13-7-11(3-6-15(13)17)9-19-16(21)12-4-5-14(18)8-12;;/h3,6-7,12,14H,4-5,8-10,18H2,1-2H3,(H,19,21);2*1H
InChIKeyDIOJOGNJNNNRSY-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119886335) has the molecular formula C16H26Cl2FN3O and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119886335
Molecular FormulaC16H26Cl2FN3O
Molecular Weight366.31 g/mol
Exact Mass365.14
IUPAC Name3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cc(CNC(=O)C2CCC(N)C2)ccc1F.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-20(2)10-13-7-11(3-6-15(13)17)9-19-16(21)12-4-5-14(18)8-12;;/h3,6-7,12,14H,4-5,8-10,18H2,1-2H3,(H,19,21);2*1H
InChIKeyDIOJOGNJNNNRSY-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119886335) is 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is CN(C)Cc1cc(CNC(=O)C2CCC(N)C2)ccc1F.Cl.Cl.
What is the InChIKey of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is DIOJOGNJNNNRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.2ClH/c1-20(2)10-13-7-11(3-6-15(13)17)9-19-16(21)12-4-5-14(18)8-12;;/h3,6-7,12,14H,4-5,8-10,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 366.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119886335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).