2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride

C14H22ClFN2O — CID 119270984

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CN.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-2-3-4-9-17(14(18)10-16)11-12-5-7-13(15)8-6-12;/h5-8H,2-4,9-11,16H2,1H3;1H
InChIKeyRUTUIHAIVZHUBT-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.72
Rot. Bonds7

About 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride

2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride (PubChem CID 119270984) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
PubChem CID119270984
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
SMILESCCCCCN(Cc1ccc(F)cc1)C(=O)CN.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-2-3-4-9-17(14(18)10-16)11-12-5-7-13(15)8-6-12;/h5-8H,2-4,9-11,16H2,1H3;1H
InChIKeyRUTUIHAIVZHUBT-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(dimethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 50952079
N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86963688
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(4-fluorophenyl)methyl]-N-pentylacetamide
CID 87013763
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[(4-fluorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 46599435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride (CID 119270984) is 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride is CCCCCN(Cc1ccc(F)cc1)C(=O)CN.Cl.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride?
The InChIKey is RUTUIHAIVZHUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-2-3-4-9-17(14(18)10-16)11-12-5-7-13(15)8-6-12;/h5-8H,2-4,9-11,16H2,1H3;1H.
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride?
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride is sourced from PubChem (CID 119270984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).