1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

C26H26FNO2 — CID 60556255

IUPAC1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C26H26FNO2/c27-24-12-10-23(11-13-24)26(14-5-15-26)25(29)28-17-21-8-4-9-22(16-21)19-30-18-20-6-2-1-3-7-20/h1-4,6-13,16H,5,14-15,17-19H2,(H,28,29)
InChIKeyBTFOVZKJXXPSRO-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.28
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 60556255) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID60556255
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C26H26FNO2/c27-24-12-10-23(11-13-24)26(14-5-15-26)25(29)28-17-21-8-4-9-22(16-21)19-30-18-20-6-2-1-3-7-20/h1-4,6-13,16H,5,14-15,17-19H2,(H,28,29)
InChIKeyBTFOVZKJXXPSRO-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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Related Compounds

N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(4-chlorophenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55660956
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 60556255) is 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is O=C(NCc1cccc(COCc2ccccc2)c1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is BTFOVZKJXXPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO2/c27-24-12-10-23(11-13-24)26(14-5-15-26)25(29)28-17-21-8-4-9-22(16-21)19-30-18-20-6-2-1-3-7-20/h1-4,6-13,16H,5,14-15,17-19H2,(H,28,29).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[[3-(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-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 60556255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).