3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide

C15H20BrClN2O — CID 103841606

IUPAC3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C15H20BrClN2O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-14(17)13(16)10-11/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeySVCDPAIMUWRVOY-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.66
Rot. Bonds3

About 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide

3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide (PubChem CID 103841606) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
PubChem CID103841606
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C15H20BrClN2O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-14(17)13(16)10-11/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeySVCDPAIMUWRVOY-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 80972236
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786
4-bromo-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61041639
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
3-bromo-5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103826706
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide (CID 103841606) is 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide is CCN1CCC(N(C)C(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The InChIKey is SVCDPAIMUWRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-14(17)13(16)10-11/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide has a molecular weight of 359.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 103841606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).