2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide

C14H11BrN2O4 — CID 103894337

IUPAC2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H11BrN2O4/c15-10-3-1-2-9(6-10)7-14(19)16-12-8-11(17(20)21)4-5-13(12)18/h1-6,8,18H,7H2,(H,16,19)
InChIKeyNNNFXKAXORREAK-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide

2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 103894337) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID103894337
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H11BrN2O4/c15-10-3-1-2-9(6-10)7-14(19)16-12-8-11(17(20)21)4-5-13(12)18/h1-6,8,18H,7H2,(H,16,19)
InChIKeyNNNFXKAXORREAK-UHFFFAOYSA-N
XLogP3.24
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 103894337) is 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is NNNFXKAXORREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-10-3-1-2-9(6-10)7-14(19)16-12-8-11(17(20)21)4-5-13(12)18/h1-6,8,18H,7H2,(H,16,19).
What are the key properties of 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 351.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 103894337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).