2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide

C12H14BrNO2 — CID 61488607

IUPAC2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO2/c1-14(10-5-6-10)12(15)8-16-11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3
InChIKeyHKQVRBCKIPTXRP-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide

2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 61488607) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID61488607
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H14BrNO2/c1-14(10-5-6-10)12(15)8-16-11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3
InChIKeyHKQVRBCKIPTXRP-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 62368885
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
CID 63095489

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide (CID 61488607) is 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1cccc(Br)c1)C1CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is HKQVRBCKIPTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14(10-5-6-10)12(15)8-16-11-4-2-3-9(13)7-11/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide?
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 284.15 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 61488607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).