2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide

C14H18BrClN2O — CID 107990350

IUPAC2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Br)C1CCCNC1
InChIInChI=1S/C14H18BrClN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyOGSBUJDYQDPMLO-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.32
Rot. Bonds3

About 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide

2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide (PubChem CID 107990350) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
PubChem CID107990350
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Br)C1CCCNC1
InChIInChI=1S/C14H18BrClN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3
InChIKeyOGSBUJDYQDPMLO-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide (CID 107990350) is 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide is CCN(C(=O)c1ccc(Cl)cc1Br)C1CCCNC1.
What is the InChIKey of 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide?
The InChIKey is OGSBUJDYQDPMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-18(11-4-3-7-17-9-11)14(19)12-6-5-10(16)8-13(12)15/h5-6,8,11,17H,2-4,7,9H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide?
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide has a molecular weight of 345.67 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 107990350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).