1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide

C16H18FN3O — CID 110438262

IUPAC1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H18FN3O/c1-20-10-9-18-14(20)11-19-15(21)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,21)
InChIKeyNPIXZIZKSMFZJL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 110438262) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID110438262
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H18FN3O/c1-20-10-9-18-14(20)11-19-15(21)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,21)
InChIKeyNPIXZIZKSMFZJL-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 110438262) is 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide is Cn1ccnc1CNC(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is NPIXZIZKSMFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20-10-9-18-14(20)11-19-15(21)16(7-2-8-16)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,21).
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 110438262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).