3-bromo-N-(2-cyclohexylethyl)benzamide

C15H20BrNO — CID 63524561

IUPAC3-bromo-N-(2-cyclohexylethyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyNMAGGDPMMKRMDH-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.15
Rot. Bonds4

About 3-bromo-N-(2-cyclohexylethyl)benzamide

3-bromo-N-(2-cyclohexylethyl)benzamide (PubChem CID 63524561) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-bromo-N-(2-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyclohexylethyl)benzamide
PubChem CID63524561
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name3-bromo-N-(2-cyclohexylethyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)
InChIKeyNMAGGDPMMKRMDH-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
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3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyclohexylethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-cyclohexylethyl)benzamide (CID 63524561) is 3-bromo-N-(2-cyclohexylethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-cyclohexylethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-cyclohexylethyl)benzamide is O=C(NCCC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-cyclohexylethyl)benzamide?
The InChIKey is NMAGGDPMMKRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18).
What are the key properties of 3-bromo-N-(2-cyclohexylethyl)benzamide?
3-bromo-N-(2-cyclohexylethyl)benzamide has a molecular weight of 310.23 g/mol, XLogP of 4.15, 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)benzamide is sourced from PubChem (CID 63524561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).