4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide

C13H15BrFNO2 — CID 24694578

IUPAC4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H15BrFNO2/c14-8-1-6-11(12(15)7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5H2,(H,16,18)
InChIKeyQCDODVAGXPGSFN-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.62
Rot. Bonds2

About 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide

4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 24694578) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
PubChem CID24694578
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H15BrFNO2/c14-8-1-6-11(12(15)7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5H2,(H,16,18)
InChIKeyQCDODVAGXPGSFN-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide (CID 24694578) is 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide is O=C(NC1CCC(O)CC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is QCDODVAGXPGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-8-1-6-11(12(15)7-8)13(18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,17H,2-5H2,(H,16,18).
What are the key properties of 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide?
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 24694578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).