N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide

C16H24FNO2 — CID 86828580

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NC(C)Cc1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-12(2)11-20-9-8-16(19)18-13(3)10-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,19)
InChIKeyHMIKYVROVLPSCD-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.94
Rot. Bonds8

About N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide

N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide (PubChem CID 86828580) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
PubChem CID86828580
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NC(C)Cc1ccccc1F
InChIInChI=1S/C16H24FNO2/c1-12(2)11-20-9-8-16(19)18-13(3)10-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,19)
InChIKeyHMIKYVROVLPSCD-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.94
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

2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide
CID 94799911
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
3-(2-methylpropoxy)-N-propan-2-ylpropanamide
CID 134180338
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide (CID 86828580) is N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)NC(C)Cc1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide?
The InChIKey is HMIKYVROVLPSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(2)11-20-9-8-16(19)18-13(3)10-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide?
N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide has a molecular weight of 281.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 86828580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).