2-(3-bromophenoxy)-N,N-dimethylpropanamide

C11H14BrNO2 — CID 43085551

IUPAC2-(3-bromophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)N(C)C
InChIInChI=1S/C11H14BrNO2/c1-8(11(14)13(2)3)15-10-6-4-5-9(12)7-10/h4-8H,1-3H3
InChIKeyJACGSXIFAYDHNR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-bromophenoxy)-N,N-dimethylpropanamide

2-(3-bromophenoxy)-N,N-dimethylpropanamide (PubChem CID 43085551) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N,N-dimethylpropanamide
PubChem CID43085551
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(3-bromophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)N(C)C
InChIInChI=1S/C11H14BrNO2/c1-8(11(14)13(2)3)15-10-6-4-5-9(12)7-10/h4-8H,1-3H3
InChIKeyJACGSXIFAYDHNR-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398210
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219436
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
2-amino-5-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107076929
2-(7-hydroxynaphthalen-2-yl)oxy-N,N-dimethylpropanamide
CID 43143635
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 19219434
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3-bromophenoxy)-N,N-dimethylpropanamide (CID 43085551) is 2-(3-bromophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N,N-dimethylpropanamide is CC(Oc1cccc(Br)c1)C(=O)N(C)C.
What is the InChIKey of 2-(3-bromophenoxy)-N,N-dimethylpropanamide?
The InChIKey is JACGSXIFAYDHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(11(14)13(2)3)15-10-6-4-5-9(12)7-10/h4-8H,1-3H3.
What are the key properties of 2-(3-bromophenoxy)-N,N-dimethylpropanamide?
2-(3-bromophenoxy)-N,N-dimethylpropanamide has a molecular weight of 272.14 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 43085551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).