2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide

C14H18Br2N2O — CID 107939910

IUPAC2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1Br)C1CCCNC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyDOIFTDGDPKGJIG-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.43
Rot. Bonds3

About 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide

2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide (PubChem CID 107939910) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
PubChem CID107939910
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1Br)C1CCCNC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyDOIFTDGDPKGJIG-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide (CID 107939910) is 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide is CCN(C(=O)c1ccc(Br)cc1Br)C1CCCNC1.
What is the InChIKey of 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide?
The InChIKey is DOIFTDGDPKGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(15)8-13(12)16/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide?
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide has a molecular weight of 390.12 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 107939910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).