3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide

C10H13ClN2O2 — CID 120872763

IUPAC3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H13ClN2O2/c1-6(12)4-10(15)13-8-5-7(11)2-3-9(8)14/h2-3,5-6,14H,4,12H2,1H3,(H,13,15)
InChIKeyZWJRUIWVURYYTR-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.72
Rot. Bonds3

About 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide

3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide (PubChem CID 120872763) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
PubChem CID120872763
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H13ClN2O2/c1-6(12)4-10(15)13-8-5-7(11)2-3-9(8)14/h2-3,5-6,14H,4,12H2,1H3,(H,13,15)
InChIKeyZWJRUIWVURYYTR-UHFFFAOYSA-N
XLogP1.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.72
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

3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 66759860
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
(2S)-2-amino-N'-(5-chloro-2-hydroxyphenyl)-N-(3-phenylpropyl)pentanediamide
CID 174842970
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 97060933

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide (CID 120872763) is 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide is CC(N)CC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide?
The InChIKey is ZWJRUIWVURYYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(12)4-10(15)13-8-5-7(11)2-3-9(8)14/h2-3,5-6,14H,4,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide?
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide has a molecular weight of 228.68 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide is sourced from PubChem (CID 120872763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).