2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide

C19H28BrFN2O2 — CID 60524780

IUPAC2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
SMILESCCC(CC)C(CNC(=O)Cc1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C19H28BrFN2O2/c1-3-15(4-2)18(23-7-9-25-10-8-23)13-22-19(24)12-14-5-6-17(21)16(20)11-14/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyOKEFBJRUGUXDPC-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.38
Rot. Bonds8

About 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide (PubChem CID 60524780) has the molecular formula C19H28BrFN2O2 and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
PubChem CID60524780
Molecular FormulaC19H28BrFN2O2
Molecular Weight415.35 g/mol
Exact Mass414.13
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
SMILESCCC(CC)C(CNC(=O)Cc1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C19H28BrFN2O2/c1-3-15(4-2)18(23-7-9-25-10-8-23)13-22-19(24)12-14-5-6-17(21)16(20)11-14/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H,22,24)
InChIKeyOKEFBJRUGUXDPC-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 55548898
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CID 46408746
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
3-(2,5-dimethoxyphenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 46539482
1-[(5-bromothiophene-2-carbonyl)amino]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 78887218
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-thiophen-3-ylpropanamide
CID 134053099

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide (CID 60524780) is 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide is CCC(CC)C(CNC(=O)Cc1ccc(F)c(Br)c1)N1CCOCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide?
The InChIKey is OKEFBJRUGUXDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrFN2O2/c1-3-15(4-2)18(23-7-9-25-10-8-23)13-22-19(24)12-14-5-6-17(21)16(20)11-14/h5-6,11,15,18H,3-4,7-10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide has a molecular weight of 415.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 60524780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).