4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide

C11H15BrN2O2 — CID 81496462

IUPAC4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-7(13)5-6-10(15)14-9-4-2-3-8(12)11(9)16/h2-4,7,16H,5-6,13H2,1H3,(H,14,15)
InChIKeyCNOXHTWULSHXKC-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.22
Rot. Bonds4

About 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide

4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide (PubChem CID 81496462) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
PubChem CID81496462
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-7(13)5-6-10(15)14-9-4-2-3-8(12)11(9)16/h2-4,7,16H,5-6,13H2,1H3,(H,14,15)
InChIKeyCNOXHTWULSHXKC-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.22
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

5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
5-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 82851221
(3S)-3-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-5-methylhexanamide
CID 81496704
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
CID 81499893
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide?
The IUPAC name of 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide (CID 81496462) is 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide is CC(N)CCC(=O)Nc1cccc(Br)c1O.
What is the InChIKey of 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide?
The InChIKey is CNOXHTWULSHXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(13)5-6-10(15)14-9-4-2-3-8(12)11(9)16/h2-4,7,16H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide?
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide has a molecular weight of 287.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide is sourced from PubChem (CID 81496462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).