N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

C13H18FN3O2 — CID 90634166

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-12(18)17-10-3-5-11(6-4-10)19-13-15-7-9(14)8-16-13/h7-8,10-11H,2-6H2,1H3,(H,17,18)
InChIKeyZAVOQCFVJXRIRU-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.83
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (PubChem CID 90634166) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
PubChem CID90634166
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-12(18)17-10-3-5-11(6-4-10)19-13-15-7-9(14)8-16-13/h7-8,10-11H,2-6H2,1H3,(H,17,18)
InChIKeyZAVOQCFVJXRIRU-UHFFFAOYSA-N
XLogP1.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (CID 90634166) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is CCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The InChIKey is ZAVOQCFVJXRIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-12(18)17-10-3-5-11(6-4-10)19-13-15-7-9(14)8-16-13/h7-8,10-11H,2-6H2,1H3,(H,17,18).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide has a molecular weight of 267.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is sourced from PubChem (CID 90634166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).