N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide

C12H15BrN2O2 — CID 117481901

IUPACN-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Br)c1C1(N)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-7(16)15-11-9(17)4-3-8(13)10(11)12(14)5-2-6-12/h3-4,17H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyBMPKBVWPPRUOTB-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.45
Rot. Bonds2

About N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide

N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide (PubChem CID 117481901) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
PubChem CID117481901
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)ccc(Br)c1C1(N)CCC1
InChIInChI=1S/C12H15BrN2O2/c1-7(16)15-11-9(17)4-3-8(13)10(11)12(14)5-2-6-12/h3-4,17H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyBMPKBVWPPRUOTB-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-bromo-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
CID 117498498
N-[3-bromo-6-hydroxy-2-(1-isocyanatocyclopropyl)phenyl]acetamide
CID 117495903
N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide
CID 115050115
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
N-[2-[1-(aminomethyl)cyclopropyl]-3-chloro-6-hydroxyphenyl]acetamide
CID 117389843
N-[3-chloro-6-hydroxy-2-(2-methylpyrrolidin-2-yl)phenyl]acetamide
CID 117425251
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
CID 117314403
1-(6-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117462709
N-[3-bromo-6-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 117488081

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide (CID 117481901) is N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)ccc(Br)c1C1(N)CCC1.
What is the InChIKey of N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide?
The InChIKey is BMPKBVWPPRUOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7(16)15-11-9(17)4-3-8(13)10(11)12(14)5-2-6-12/h3-4,17H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide?
N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide has a molecular weight of 299.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclobutyl)-3-bromo-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117481901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).