N-(4-fluorophenyl)-2-(pentylamino)acetamide

C13H19FN2O — CID 28569105

IUPACN-(4-fluorophenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-3-4-9-15-10-13(17)16-12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyBOEFNRJBXCUVDZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds7

About N-(4-fluorophenyl)-2-(pentylamino)acetamide

N-(4-fluorophenyl)-2-(pentylamino)acetamide (PubChem CID 28569105) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(pentylamino)acetamide
PubChem CID28569105
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(4-fluorophenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-3-4-9-15-10-13(17)16-12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyBOEFNRJBXCUVDZ-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.54
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-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(pentylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(pentylamino)acetamide (CID 28569105) is N-(4-fluorophenyl)-2-(pentylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(pentylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(pentylamino)acetamide is CCCCCNCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(pentylamino)acetamide?
The InChIKey is BOEFNRJBXCUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-3-4-9-15-10-13(17)16-12-7-5-11(14)6-8-12/h5-8,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-(pentylamino)acetamide?
N-(4-fluorophenyl)-2-(pentylamino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(pentylamino)acetamide is sourced from PubChem (CID 28569105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).