N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C24H24FN3O2 — CID 53119894

IUPACN-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCCC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C24H24FN3O2/c25-19-12-10-17(11-13-19)22-15-23(27-16-26-22)30-21-9-5-6-18(14-21)24(29)28-20-7-3-1-2-4-8-20/h5-6,9-16,20H,1-4,7-8H2,(H,28,29)
InChIKeyZZPZSEGBWFPOGW-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.53
Rot. Bonds5

About N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53119894) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53119894
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NC1CCCCCC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C24H24FN3O2/c25-19-12-10-17(11-13-19)22-15-23(27-16-26-22)30-21-9-5-6-18(14-21)24(29)28-20-7-3-1-2-4-8-20/h5-6,9-16,20H,1-4,7-8H2,(H,28,29)
InChIKeyZZPZSEGBWFPOGW-UHFFFAOYSA-N
XLogP5.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 53119894) is N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is O=C(NC1CCCCCC1)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1.
What is the InChIKey of N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is ZZPZSEGBWFPOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-19-12-10-17(11-13-19)22-15-23(27-16-26-22)30-21-9-5-6-18(14-21)24(29)28-20-7-3-1-2-4-8-20/h5-6,9-16,20H,1-4,7-8H2,(H,28,29).
What are the key properties of N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 405.47 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53119894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).