N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide

C17H25FN2O — CID 119815704

IUPACN-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H25FN2O/c1-19-12-6-11-16(21)20-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17,19H,2-3,6-8,11-12H2,1H3,(H,20,21)
InChIKeyCAFLZBCWZKPMSQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.17
Rot. Bonds7

About N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide

N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide (PubChem CID 119815704) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
PubChem CID119815704
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H25FN2O/c1-19-12-6-11-16(21)20-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17,19H,2-3,6-8,11-12H2,1H3,(H,20,21)
InChIKeyCAFLZBCWZKPMSQ-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.17
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-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119735348
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166234080
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide (CID 119815704) is N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(c1ccccc1F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is CAFLZBCWZKPMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19-12-6-11-16(21)20-17(13-7-2-3-8-13)14-9-4-5-10-15(14)18/h4-5,9-10,13,17,19H,2-3,6-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide?
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 292.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119815704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).