2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide

C15H21BrN2O — CID 63316134

IUPAC2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-18(12-6-2-3-7-12)11-10-17-15(19)13-8-4-5-9-14(13)16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyBLFGGZJWBOAFBS-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.05
Rot. Bonds5

About 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide

2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide (PubChem CID 63316134) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
PubChem CID63316134
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccccc1Br)C1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-18(12-6-2-3-7-12)11-10-17-15(19)13-8-4-5-9-14(13)16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyBLFGGZJWBOAFBS-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide (CID 63316134) is 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide is CN(CCNC(=O)c1ccccc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide?
The InChIKey is BLFGGZJWBOAFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18(12-6-2-3-7-12)11-10-17-15(19)13-8-4-5-9-14(13)16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide?
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 63316134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).