1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide

C16H22FNO — CID 134005949

IUPAC1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CN(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H22FNO/c1-12(2)11-18(3)15(19)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZHWCKACLXDXBCJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 134005949) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID134005949
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CN(C)C(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H22FNO/c1-12(2)11-18(3)15(19)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZHWCKACLXDXBCJ-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 55590411
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 122107742
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67537213
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclohexyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopentyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopropyl]-2-methylpropan-1-one
CID 167684249
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
CID 112760416
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide (CID 134005949) is 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide is CC(C)CN(C)C(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is ZHWCKACLXDXBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(2)11-18(3)15(19)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134005949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).