2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide

C12H15BrN2O2 — CID 113497736

IUPAC2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
SMILESCC(Oc1cccc(N)c1Br)C(=O)NC1CC1
InChIInChI=1S/C12H15BrN2O2/c1-7(12(16)15-8-5-6-8)17-10-4-2-3-9(14)11(10)13/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)
InChIKeyAQXBPBVUCHXETD-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.08
Rot. Bonds4

About 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide

2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide (PubChem CID 113497736) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
PubChem CID113497736
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
SMILESCC(Oc1cccc(N)c1Br)C(=O)NC1CC1
InChIInChI=1S/C12H15BrN2O2/c1-7(12(16)15-8-5-6-8)17-10-4-2-3-9(14)11(10)13/h2-4,7-8H,5-6,14H2,1H3,(H,15,16)
InChIKeyAQXBPBVUCHXETD-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2-methylphenoxy)-N-cyclopentylpropanamide
CID 43437833
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 111118280
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-amino-6-methoxybenzoate
CID 81413886
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
methyl 4-amino-3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate
CID 43380125
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide (CID 113497736) is 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide is CC(Oc1cccc(N)c1Br)C(=O)NC1CC1.
What is the InChIKey of 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide?
The InChIKey is AQXBPBVUCHXETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7(12(16)15-8-5-6-8)17-10-4-2-3-9(14)11(10)13/h2-4,7-8H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide?
2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide has a molecular weight of 299.17 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 113497736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).