N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide

C14H19BrClNO2 — CID 107157608

IUPACN-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
SMILESCC(C)CC(Br)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO2/c1-10(2)6-11(15)8-17-14(18)9-19-13-5-3-4-12(16)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,18)
InChIKeyLPYNILORQBTEMO-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.64
Rot. Bonds7

About N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide

N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide (PubChem CID 107157608) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
PubChem CID107157608
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC NameN-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
SMILESCC(C)CC(Br)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C14H19BrClNO2/c1-10(2)6-11(15)8-17-14(18)9-19-13-5-3-4-12(16)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,18)
InChIKeyLPYNILORQBTEMO-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide (CID 107157608) is N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide is CC(C)CC(Br)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide?
The InChIKey is LPYNILORQBTEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-10(2)6-11(15)8-17-14(18)9-19-13-5-3-4-12(16)7-13/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide?
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide has a molecular weight of 348.67 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 107157608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).