N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride

C17H26ClFN2O — CID 119735348

IUPACN-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)C1CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-19-12-4-7-16(21)20-17(13-5-2-3-6-13)14-8-10-15(18)11-9-14;/h8-11,13,17,19H,2-7,12H2,1H3,(H,20,21);1H
InChIKeyFJPUEPWMQXXFGL-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.59
Rot. Bonds7

About N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride

N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119735348) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119735348
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(c1ccc(F)cc1)C1CCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-19-12-4-7-16(21)20-17(13-5-2-3-6-13)14-8-10-15(18)11-9-14;/h8-11,13,17,19H,2-7,12H2,1H3,(H,20,21);1H
InChIKeyFJPUEPWMQXXFGL-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51951505
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51951531
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119735348) is N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(c1ccc(F)cc1)C1CCCC1.Cl.
What is the InChIKey of N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is FJPUEPWMQXXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-19-12-4-7-16(21)20-17(13-5-2-3-6-13)14-8-10-15(18)11-9-14;/h8-11,13,17,19H,2-7,12H2,1H3,(H,20,21);1H.
What are the key properties of N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).