3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide

C15H19BrFNO2 — CID 99794453

IUPAC3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(F)cc(Br)c2O)CC1
InChIInChI=1S/C15H19BrFNO2/c1-9-3-5-11(6-4-9)18(2)15(20)12-7-10(17)8-13(16)14(12)19/h7-9,11,19H,3-6H2,1-2H3
InChIKeyFPRLPYGCQIOXBC-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.94
Rot. Bonds2

About 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide

3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 99794453) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide
PubChem CID99794453
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(F)cc(Br)c2O)CC1
InChIInChI=1S/C15H19BrFNO2/c1-9-3-5-11(6-4-9)18(2)15(20)12-7-10(17)8-13(16)14(12)19/h7-9,11,19H,3-6H2,1-2H3
InChIKeyFPRLPYGCQIOXBC-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide (CID 99794453) is 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide is CC1CCC(N(C)C(=O)c2cc(F)cc(Br)c2O)CC1.
What is the InChIKey of 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is FPRLPYGCQIOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-9-3-5-11(6-4-9)18(2)15(20)12-7-10(17)8-13(16)14(12)19/h7-9,11,19H,3-6H2,1-2H3.
What are the key properties of 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide?
3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 344.22 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-hydroxy-N-methyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 99794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).