N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride

C16H24ClFN2O2 — CID 119603939

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C16H23FN2O2.ClH/c17-13-6-1-2-8-15(13)21-10-4-9-16(20)19-14-7-3-5-12(14)11-18;/h1-2,6,8,12,14H,3-5,7,9-11,18H2,(H,19,20);1H
InChIKeyBKMMCWYFOLDRJR-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride (PubChem CID 119603939) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
PubChem CID119603939
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C16H23FN2O2.ClH/c17-13-6-1-2-8-15(13)21-10-4-9-16(20)19-14-7-3-5-12(14)11-18;/h1-2,6,8,12,14H,3-5,7,9-11,18H2,(H,19,20);1H
InChIKeyBKMMCWYFOLDRJR-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.65
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

N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[2-(aminomethyl)cyclopentyl]-2-(2-fluorophenoxy)butanamide
CID 119605380
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 119609996
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride (CID 119603939) is N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CCCOc1ccccc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is BKMMCWYFOLDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c17-13-6-1-2-8-15(13)21-10-4-9-16(20)19-14-7-3-5-12(14)11-18;/h1-2,6,8,12,14H,3-5,7,9-11,18H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).