5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide

C18H26BrClN2O2 — CID 43046378

IUPAC5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1cc(Br)ccc1Cl)N1CCOCC1
InChIInChI=1S/C18H26BrClN2O2/c1-3-13(4-2)17(22-7-9-24-10-8-22)12-21-18(23)15-11-14(19)5-6-16(15)20/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyYFIUKNSHVRGYAD-UHFFFAOYSA-N
MW417.78 g/mol
LogP3.97
Rot. Bonds7

About 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide

5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 43046378) has the molecular formula C18H26BrClN2O2 and a molecular weight of 417.78 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID43046378
Molecular FormulaC18H26BrClN2O2
Molecular Weight417.78 g/mol
Exact Mass416.09
IUPAC Name5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
SMILESCCC(CC)C(CNC(=O)c1cc(Br)ccc1Cl)N1CCOCC1
InChIInChI=1S/C18H26BrClN2O2/c1-3-13(4-2)17(22-7-9-24-10-8-22)12-21-18(23)15-11-14(19)5-6-16(15)20/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,21,23)
InChIKeyYFIUKNSHVRGYAD-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
CID 42943243
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
1-[(5-bromothiophene-2-carbonyl)amino]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 78887218
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
CID 55665915
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide (CID 43046378) is 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide is CCC(CC)C(CNC(=O)c1cc(Br)ccc1Cl)N1CCOCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is YFIUKNSHVRGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrClN2O2/c1-3-13(4-2)17(22-7-9-24-10-8-22)12-21-18(23)15-11-14(19)5-6-16(15)20/h5-6,11,13,17H,3-4,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide?
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 417.78 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 43046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).