2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide

C13H10BrN3O4 — CID 107681100

IUPAC2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O4/c14-7-4-5-8(9(15)6-7)13(19)16-12-10(17(20)21)2-1-3-11(12)18/h1-6,18H,15H2,(H,16,19)
InChIKeyPFVBFPULLKJHGU-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide

2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide (PubChem CID 107681100) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
PubChem CID107681100
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O4/c14-7-4-5-8(9(15)6-7)13(19)16-12-10(17(20)21)2-1-3-11(12)18/h1-6,18H,15H2,(H,16,19)
InChIKeyPFVBFPULLKJHGU-UHFFFAOYSA-N
XLogP2.90
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
CID 102741517

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide (CID 107681100) is 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
The InChIKey is PFVBFPULLKJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c14-7-4-5-8(9(15)6-7)13(19)16-12-10(17(20)21)2-1-3-11(12)18/h1-6,18H,15H2,(H,16,19).
What are the key properties of 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide?
2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide has a molecular weight of 352.14 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide is sourced from PubChem (CID 107681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).