N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide

C14H20FNO2 — CID 112685671

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)13(16-14(17)10(3)18-4)11-5-7-12(15)8-6-11/h5-10,13H,1-4H3,(H,16,17)
InChIKeyXJFFIWKUWIDZND-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.67
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide (PubChem CID 112685671) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
PubChem CID112685671
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)13(16-14(17)10(3)18-4)11-5-7-12(15)8-6-11/h5-10,13H,1-4H3,(H,16,17)
InChIKeyXJFFIWKUWIDZND-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[1-(4-fluorophenyl)-2-methylpropyl]but-2-enamide
CID 78911777
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide (CID 112685671) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide is COC(C)C(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide?
The InChIKey is XJFFIWKUWIDZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)13(16-14(17)10(3)18-4)11-5-7-12(15)8-6-11/h5-10,13H,1-4H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide has a molecular weight of 253.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide is sourced from PubChem (CID 112685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).