N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide

C15H19BrFNO2 — CID 102638292

IUPACN-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C15H19BrFNO2/c1-18(12-8-4-3-6-10(12)16)15(19)14-11(17)7-5-9-13(14)20-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyXOYDHHNMGUMFFX-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.61
Rot. Bonds3

About N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide

N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide (PubChem CID 102638292) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
PubChem CID102638292
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC NameN-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C15H19BrFNO2/c1-18(12-8-4-3-6-10(12)16)15(19)14-11(17)7-5-9-13(14)20-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyXOYDHHNMGUMFFX-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide (CID 102638292) is N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide is COc1cccc(F)c1C(=O)N(C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide?
The InChIKey is XOYDHHNMGUMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-18(12-8-4-3-6-10(12)16)15(19)14-11(17)7-5-9-13(14)20-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide?
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide has a molecular weight of 344.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide is sourced from PubChem (CID 102638292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).