2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

C15H20BrClN2O — CID 78904784

IUPAC2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H20BrClN2O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-10-12(17)2-3-14(13)16/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyRBCYDALECJXUIL-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.56
Rot. Bonds4

About 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 78904784) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID78904784
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H20BrClN2O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-10-12(17)2-3-14(13)16/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyRBCYDALECJXUIL-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 78904784) is 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is CC1CCN(CCNC(=O)c2cc(Cl)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is RBCYDALECJXUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-11-4-7-19(8-5-11)9-6-18-15(20)13-10-12(17)2-3-14(13)16/h2-3,10-11H,4-9H2,1H3,(H,18,20).
What are the key properties of 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 359.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 78904784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).