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

C12H15BrClNO3 — CID 2906779

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO3/c1-17-6-2-5-15-12(16)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyVRFAUEBVNGPASD-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.63
Rot. Bonds7

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

2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 2906779) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID2906779
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO3/c1-17-6-2-5-15-12(16)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyVRFAUEBVNGPASD-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226778
2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 885680
2-(4-Bromo-2-chlorophenoxy)-1-(pyrrolidin-1-yl)ethanone
CID 885808
2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
CID 885937
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide
CID 2234817
[3-(4-Bromo-2-chlorophenoxy)propyl](2-methoxyethyl)amine oxalate
CID 2922897
[4-(4-Bromo-2-chlorophenoxy)butyl](3-methoxypropyl)amine oxalate
CID 2923184
2-(4-bromo-2-chlorophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 3882773
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 4995082
2-(2-chlorophenoxy)-N-cyclopropylacetamide
CID 977691
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 2213840

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide (CID 2906779) is 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is VRFAUEBVNGPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-17-6-2-5-15-12(16)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 336.61 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 2906779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).