2-(2-bromophenoxy)-N-butan-2-ylpropanamide

C13H18BrNO2 — CID 43117128

IUPAC2-(2-bromophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-9(2)15-13(16)10(3)17-12-8-6-5-7-11(12)14/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyJWRPKLGPMCIKNE-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.13
Rot. Bonds5

About 2-(2-bromophenoxy)-N-butan-2-ylpropanamide

2-(2-bromophenoxy)-N-butan-2-ylpropanamide (PubChem CID 43117128) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-butan-2-ylpropanamide
PubChem CID43117128
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(2-bromophenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-9(2)15-13(16)10(3)17-12-8-6-5-7-11(12)14/h5-10H,4H2,1-3H3,(H,15,16)
InChIKeyJWRPKLGPMCIKNE-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
(2R)-2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119368498
2-[2-(2-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 119170475
(2S)-2-[2-(2-bromophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119361135
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-butan-2-ylpropanamide (CID 43117128) is 2-(2-bromophenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-butan-2-ylpropanamide?
The InChIKey is JWRPKLGPMCIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-9(2)15-13(16)10(3)17-12-8-6-5-7-11(12)14/h5-10H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-bromophenoxy)-N-butan-2-ylpropanamide?
2-(2-bromophenoxy)-N-butan-2-ylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 43117128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).