N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C23H22FN3O2 — CID 46388751

IUPACN-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H22FN3O2/c24-18-11-9-16(10-12-18)22-25-14-13-21(27-22)29-20-8-4-5-17(15-20)23(28)26-19-6-2-1-3-7-19/h4-5,8-15,19H,1-3,6-7H2,(H,26,28)
InChIKeyULBLAYSASAQDQJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.14
Rot. Bonds5

About N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 46388751) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID46388751
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H22FN3O2/c24-18-11-9-16(10-12-18)22-25-14-13-21(27-22)29-20-8-4-5-17(15-20)23(28)26-19-6-2-1-3-7-19/h4-5,8-15,19H,1-3,6-7H2,(H,26,28)
InChIKeyULBLAYSASAQDQJ-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 46388751) is N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is O=C(NC1CCCCC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is ULBLAYSASAQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-18-11-9-16(10-12-18)22-25-14-13-21(27-22)29-20-8-4-5-17(15-20)23(28)26-19-6-2-1-3-7-19/h4-5,8-15,19H,1-3,6-7H2,(H,26,28).
What are the key properties of N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 391.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 46388751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).