2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide

C12H14BrNO2 — CID 107284188

IUPAC2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCc1ccc(Br)cc1OCC(=O)NC1CC1
InChIInChI=1S/C12H14BrNO2/c1-8-2-3-9(13)6-11(8)16-7-12(15)14-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeySUFGIBUFGOGALC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.41
Rot. Bonds4

About 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide

2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide (PubChem CID 107284188) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
PubChem CID107284188
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCc1ccc(Br)cc1OCC(=O)NC1CC1
InChIInChI=1S/C12H14BrNO2/c1-8-2-3-9(13)6-11(8)16-7-12(15)14-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeySUFGIBUFGOGALC-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 107656439
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 43277622
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide (CID 107284188) is 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide is Cc1ccc(Br)cc1OCC(=O)NC1CC1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide?
The InChIKey is SUFGIBUFGOGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-2-3-9(13)6-11(8)16-7-12(15)14-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide?
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide has a molecular weight of 284.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 107284188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).