N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide

C24H20F4N2O2 — CID 138609144

IUPACN-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)CCC1
InChIInChI=1S/C24H20F4N2O2/c25-18-6-8-19(9-7-18)30-22(32)23(10-1-11-23)17-4-2-15(3-5-17)20-13-29-21(24(26,27)28)12-16(20)14-31/h2-9,12-13,31H,1,10-11,14H2,(H,30,32)
InChIKeyGXMFNZRLSVZUJB-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.46
Rot. Bonds5

About N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide (PubChem CID 138609144) has the molecular formula C24H20F4N2O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide
PubChem CID138609144
Molecular FormulaC24H20F4N2O2
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC NameN-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)CCC1
InChIInChI=1S/C24H20F4N2O2/c25-18-6-8-19(9-7-18)30-22(32)23(10-1-11-23)17-4-2-15(3-5-17)20-13-29-21(24(26,27)28)12-16(20)14-31/h2-9,12-13,31H,1,10-11,14H2,(H,30,32)
InChIKeyGXMFNZRLSVZUJB-UHFFFAOYSA-N
XLogP5.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide (CID 138609144) is N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cc2)CCC1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide?
The InChIKey is GXMFNZRLSVZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2/c25-18-6-8-19(9-7-18)30-22(32)23(10-1-11-23)17-4-2-15(3-5-17)20-13-29-21(24(26,27)28)12-16(20)14-31/h2-9,12-13,31H,1,10-11,14H2,(H,30,32).
What are the key properties of N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide has a molecular weight of 444.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138609144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).