1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

C26H26FNO2 — CID 55762964

IUPAC1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C26H26FNO2/c27-24-13-6-12-23(16-24)26(14-7-15-26)25(29)28-17-21-10-4-5-11-22(21)19-30-18-20-8-2-1-3-9-20/h1-6,8-13,16H,7,14-15,17-19H2,(H,28,29)
InChIKeyLKODVTSNNLCQOK-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.28
Rot. Bonds8

About 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 55762964) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID55762964
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C26H26FNO2/c27-24-13-6-12-23(16-24)26(14-7-15-26)25(29)28-17-21-10-4-5-11-22(21)19-30-18-20-8-2-1-3-9-20/h1-6,8-13,16H,7,14-15,17-19H2,(H,28,29)
InChIKeyLKODVTSNNLCQOK-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 55762964) is 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is O=C(NCc1ccccc1COCc1ccccc1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is LKODVTSNNLCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-24-13-6-12-23(16-24)26(14-7-15-26)25(29)28-17-21-10-4-5-11-22(21)19-30-18-20-8-2-1-3-9-20/h1-6,8-13,16H,7,14-15,17-19H2,(H,28,29).
What are the key properties of 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55762964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).