2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C15H20BrNO3 — CID 114751462

IUPAC2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2(CCO)CC2)c(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-11-2-3-13(12(16)8-11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyDRKKCNLBJISNMN-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.42
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751462) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751462
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2(CCO)CC2)c(Br)c1
InChIInChI=1S/C15H20BrNO3/c1-11-2-3-13(12(16)8-11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyDRKKCNLBJISNMN-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
2-(2,4-dichlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751365
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(4-chloro-3-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751110
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43407191

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751462) is 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is Cc1ccc(OCC(=O)NCC2(CCO)CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is DRKKCNLBJISNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11-2-3-13(12(16)8-11)20-9-14(19)17-10-15(4-5-15)6-7-18/h2-3,8,18H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).