2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide

C10H11BrN2O4 — CID 56766376

IUPAC2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11BrN2O4/c1-2-7(11)10(15)12-8-5-6(13(16)17)3-4-9(8)14/h3-5,7,14H,2H2,1H3,(H,12,15)
InChIKeyRCFQXVKOZWNOPN-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.41
Rot. Bonds4

About 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide

2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide (PubChem CID 56766376) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
PubChem CID56766376
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11BrN2O4/c1-2-7(11)10(15)12-8-5-6(13(16)17)3-4-9(8)14/h3-5,7,14H,2H2,1H3,(H,12,15)
InChIKeyRCFQXVKOZWNOPN-UHFFFAOYSA-N
XLogP2.41
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
2-bromo-N-(2,4-dinitrophenyl)butanamide
CID 62855010
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
3-(2-bromobutanoylamino)-4-hydroxybenzoic acid
CID 108730255
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
2-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)-4,4-dimethylpentanamide
CID 107744880
1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 107744593
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide (CID 56766376) is 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide is CCC(Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide?
The InChIKey is RCFQXVKOZWNOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-2-7(11)10(15)12-8-5-6(13(16)17)3-4-9(8)14/h3-5,7,14H,2H2,1H3,(H,12,15).
What are the key properties of 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide?
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide has a molecular weight of 303.11 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 56766376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).