3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide

C15H19BrFNO — CID 107951613

IUPAC3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)
InChIKeyIWKBBBDBYAMEAT-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.29
Rot. Bonds4

About 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide

3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide (PubChem CID 107951613) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
PubChem CID107951613
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H19BrFNO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19)
InChIKeyIWKBBBDBYAMEAT-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
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CID 63524562
3-bromo-N-(2-cyclohexylethyl)benzamide
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3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
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3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide
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CID 103839347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide (CID 107951613) is 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide is O=C(NCCC1CCCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide?
The InChIKey is IWKBBBDBYAMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-13-10-12(6-7-14(13)17)15(19)18-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,18,19).
What are the key properties of 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide?
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide has a molecular weight of 328.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide is sourced from PubChem (CID 107951613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).