2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide

C13H18BrNO2 — CID 60625494

IUPAC2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-10(2)7-8-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyORFFZNNEIRCPPB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide

2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 60625494) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
PubChem CID60625494
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-10(2)7-8-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyORFFZNNEIRCPPB-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide (CID 60625494) is 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is ORFFZNNEIRCPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10(2)7-8-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide?
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 60625494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).