3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide

C16H23BrN2O — CID 60954447

IUPAC3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H23BrN2O/c1-18(2)10-11-19(15-8-3-4-9-15)16(20)13-6-5-7-14(17)12-13/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyVDFISCAJMBCEIE-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.40
Rot. Bonds5

About 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide

3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 60954447) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID60954447
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1cccc(Br)c1)C1CCCC1
InChIInChI=1S/C16H23BrN2O/c1-18(2)10-11-19(15-8-3-4-9-15)16(20)13-6-5-7-14(17)12-13/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyVDFISCAJMBCEIE-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63394655
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3-bromo-N-cyclopropyl-N-ethylbenzamide
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4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
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N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
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3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
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N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
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CID 103752787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide (CID 60954447) is 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCN(C(=O)c1cccc(Br)c1)C1CCCC1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is VDFISCAJMBCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-18(2)10-11-19(15-8-3-4-9-15)16(20)13-6-5-7-14(17)12-13/h5-7,12,15H,3-4,8-11H2,1-2H3.
What are the key properties of 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 60954447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).