N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride

C17H26ClFN2O — CID 119565655

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(8-9-14-6-2-3-7-15(14)18)16(21)20-17(12-19)10-4-5-11-17;/h2-3,6-7,13H,4-5,8-12,19H2,1H3,(H,20,21);1H
InChIKeyNWGISRIHNCWRMQ-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride (PubChem CID 119565655) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
PubChem CID119565655
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(8-9-14-6-2-3-7-15(14)18)16(21)20-17(12-19)10-4-5-11-17;/h2-3,6-7,13H,4-5,8-12,19H2,1H3,(H,20,21);1H
InChIKeyNWGISRIHNCWRMQ-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
N-[1-(aminomethyl)cyclohexyl]-2-methylpentanamide
CID 63755495
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124688628

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride (CID 119565655) is N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride is CC(CCc1ccccc1F)C(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride?
The InChIKey is NWGISRIHNCWRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-13(8-9-14-6-2-3-7-15(14)18)16(21)20-17(12-19)10-4-5-11-17;/h2-3,6-7,13H,4-5,8-12,19H2,1H3,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119565655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).