N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide

C15H22FNO2 — CID 71993281

IUPACN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-11(2)14(17-15(18)8-9-19-3)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyQBLVJMGVAHURRP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.55
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide

N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide (PubChem CID 71993281) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
PubChem CID71993281
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H22FNO2/c1-11(2)14(17-15(18)8-9-19-3)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyQBLVJMGVAHURRP-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 95969358
N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2H-triazole-4-carboxamide
CID 95782733
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
CID 95782737
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619079
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide (CID 71993281) is N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide is COCCC(=O)NC(Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide?
The InChIKey is QBLVJMGVAHURRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(2)14(17-15(18)8-9-19-3)10-12-4-6-13(16)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide?
N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide has a molecular weight of 267.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 71993281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).