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

C17H17BrFN3O2 — CID 90634210

IUPAC2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccccc1Br
InChIInChI=1S/C17H17BrFN3O2/c18-15-4-2-1-3-14(15)16(23)22-12-5-7-13(8-6-12)24-17-20-9-11(19)10-21-17/h1-4,9-10,12-13H,5-8H2,(H,22,23)
InChIKeyLRMFBCFYJYWNFA-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.50
Rot. Bonds4

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

2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90634210) has the molecular formula C17H17BrFN3O2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90634210
Molecular FormulaC17H17BrFN3O2
Molecular Weight394.24 g/mol
Exact Mass393.05
IUPAC Name2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccccc1Br
InChIInChI=1S/C17H17BrFN3O2/c18-15-4-2-1-3-14(15)16(23)22-12-5-7-13(8-6-12)24-17-20-9-11(19)10-21-17/h1-4,9-10,12-13H,5-8H2,(H,22,23)
InChIKeyLRMFBCFYJYWNFA-UHFFFAOYSA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyltriazole-4-carboxamide
CID 90634332
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
CID 90634235

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90634210) is 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is LRMFBCFYJYWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O2/c18-15-4-2-1-3-14(15)16(23)22-12-5-7-13(8-6-12)24-17-20-9-11(19)10-21-17/h1-4,9-10,12-13H,5-8H2,(H,22,23).
What are the key properties of 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 394.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 90634210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).