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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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).