N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide

C14H17BrClNO2 — CID 114758307

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(CCBr)CC1
InChIInChI=1S/C14H17BrClNO2/c15-8-7-14(5-6-14)10-17-13(18)9-19-12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,18)
InChIKeyQPJNUDRUZZCJJE-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.40
Rot. Bonds7

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 114758307) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
PubChem CID114758307
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1(CCBr)CC1
InChIInChI=1S/C14H17BrClNO2/c15-8-7-14(5-6-14)10-17-13(18)9-19-12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,18)
InChIKeyQPJNUDRUZZCJJE-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.40
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

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
2-(2,4-dichlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751365
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenoxy)ethyl]-3-fluoroazetidin-3-yl]methyl]acetamide
CID 137380567
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide (CID 114758307) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCC1(CCBr)CC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is QPJNUDRUZZCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-8-7-14(5-6-14)10-17-13(18)9-19-12-3-1-11(16)2-4-12/h1-4H,5-10H2,(H,17,18).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 346.65 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 114758307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).