N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide

C15H21BrClNO2 — CID 106288395

IUPACN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
SMILESCCC(CC)C(Br)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H21BrClNO2/c1-3-11(4-2)14(16)9-18-15(19)10-20-13-7-5-6-12(17)8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyJFWGWBPHMLYQRA-UHFFFAOYSA-N
MW362.70 g/mol
LogP4.03
Rot. Bonds8

About N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide

N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide (PubChem CID 106288395) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
PubChem CID106288395
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
SMILESCCC(CC)C(Br)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H21BrClNO2/c1-3-11(4-2)14(16)9-18-15(19)10-20-13-7-5-6-12(17)8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyJFWGWBPHMLYQRA-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide (CID 106288395) is N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide is CCC(CC)C(Br)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide?
The InChIKey is JFWGWBPHMLYQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-3-11(4-2)14(16)9-18-15(19)10-20-13-7-5-6-12(17)8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide?
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide has a molecular weight of 362.70 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 106288395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).