3-bromo-N-cyclopentyl-N-methylbenzamide

C13H16BrNO — CID 43213208

IUPAC3-bromo-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H16BrNO/c1-15(12-7-2-3-8-12)13(16)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyJRRCFOOHOFUVHO-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.46
Rot. Bonds2

About 3-bromo-N-cyclopentyl-N-methylbenzamide

3-bromo-N-cyclopentyl-N-methylbenzamide (PubChem CID 43213208) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N-methylbenzamide
PubChem CID43213208
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name3-bromo-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C13H16BrNO/c1-15(12-7-2-3-8-12)13(16)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8H2,1H3
InChIKeyJRRCFOOHOFUVHO-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclohexyl-3-ethyl-N-methylbenzamide
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3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
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3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N-methylbenzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N-methylbenzamide (CID 43213208) is 3-bromo-N-cyclopentyl-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N-methylbenzamide is CN(C(=O)c1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N-methylbenzamide?
The InChIKey is JRRCFOOHOFUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-15(12-7-2-3-8-12)13(16)10-5-4-6-11(14)9-10/h4-6,9,12H,2-3,7-8H2,1H3.
What are the key properties of 3-bromo-N-cyclopentyl-N-methylbenzamide?
3-bromo-N-cyclopentyl-N-methylbenzamide has a molecular weight of 282.18 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N-methylbenzamide is sourced from PubChem (CID 43213208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).