N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C23H24FN3O2 — CID 57465247

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H24FN3O2/c1-16-13-27(15-26-16)20-9-4-17(12-21(20)29-2)22(28)25-14-23(10-3-11-23)18-5-7-19(24)8-6-18/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,25,28)
InChIKeyHGILDCNNVSLNAS-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.18
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 57465247) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID57465247
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H24FN3O2/c1-16-13-27(15-26-16)20-9-4-17(12-21(20)29-2)22(28)25-14-23(10-3-11-23)18-5-7-19(24)8-6-18/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,25,28)
InChIKeyHGILDCNNVSLNAS-UHFFFAOYSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 57465247) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is HGILDCNNVSLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-13-27(15-26-16)20-9-4-17(12-21(20)29-2)22(28)25-14-23(10-3-11-23)18-5-7-19(24)8-6-18/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,25,28).
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 393.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 57465247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).