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

C12H15BrClNO3 — CID 113274546

IUPACN-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
SMILESCOCC(Br)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(13)6-15-12(16)8-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyQDEMDYOWVFDRFF-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.24
Rot. Bonds7

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

N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 113274546) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
PubChem CID113274546
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC NameN-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
SMILESCOCC(Br)CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(13)6-15-12(16)8-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyQDEMDYOWVFDRFF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide
CID 113272098
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(4-chlorophenoxy)acetamide
CID 62666128
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide (CID 113274546) is N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide is COCC(Br)CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is QDEMDYOWVFDRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-17-7-9(13)6-15-12(16)8-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide?
N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 336.61 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113274546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).