1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

C17H17FN2O — CID 86920088

IUPAC1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H17FN2O/c18-15-4-1-3-14(11-15)17(7-2-8-17)16(21)20-12-13-5-9-19-10-6-13/h1,3-6,9-11H,2,7-8,12H2,(H,20,21)
InChIKeySLIUEGMLRMKQLT-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 86920088) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID86920088
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H17FN2O/c18-15-4-1-3-14(11-15)17(7-2-8-17)16(21)20-12-13-5-9-19-10-6-13/h1,3-6,9-11H,2,7-8,12H2,(H,20,21)
InChIKeySLIUEGMLRMKQLT-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55962305
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 78885986
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 78864705
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide (CID 86920088) is 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1ccncc1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is SLIUEGMLRMKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-4-1-3-14(11-15)17(7-2-8-17)16(21)20-12-13-5-9-19-10-6-13/h1,3-6,9-11H,2,7-8,12H2,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 86920088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).