5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide

C15H15BrFN3O3 — CID 91626383

IUPAC5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrFN3O3/c16-13-6-5-12(23-13)14(21)20-10-1-3-11(4-2-10)22-15-18-7-9(17)8-19-15/h5-8,10-11H,1-4H2,(H,20,21)
InChIKeyLDLYCKYNDGEWSI-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.09
Rot. Bonds4

About 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide

5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide (PubChem CID 91626383) has the molecular formula C15H15BrFN3O3 and a molecular weight of 384.21 g/mol. Its IUPAC name is 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
PubChem CID91626383
Molecular FormulaC15H15BrFN3O3
Molecular Weight384.21 g/mol
Exact Mass383.03
IUPAC Name5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrFN3O3/c16-13-6-5-12(23-13)14(21)20-10-1-3-11(4-2-10)22-15-18-7-9(17)8-19-15/h5-8,10-11H,1-4H2,(H,20,21)
InChIKeyLDLYCKYNDGEWSI-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide (CID 91626383) is 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide?
The InChIKey is LDLYCKYNDGEWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O3/c16-13-6-5-12(23-13)14(21)20-10-1-3-11(4-2-10)22-15-18-7-9(17)8-19-15/h5-8,10-11H,1-4H2,(H,20,21).
What are the key properties of 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide?
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide has a molecular weight of 384.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 91626383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).