2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide

C13H8BrClN2O4 — CID 107988108

IUPAC2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19)
InChIKeyPXVNRQSUHSPXHC-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.97
Rot. Bonds3

About 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide

2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide (PubChem CID 107988108) has the molecular formula C13H8BrClN2O4 and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
PubChem CID107988108
Molecular FormulaC13H8BrClN2O4
Molecular Weight371.57 g/mol
Exact Mass369.94
IUPAC Name2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrClN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19)
InChIKeyPXVNRQSUHSPXHC-UHFFFAOYSA-N
XLogP3.97
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
2-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948421
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
CID 61041536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide (CID 107988108) is 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide?
The InChIKey is PXVNRQSUHSPXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O4/c14-10-5-7(15)1-3-9(10)13(19)16-11-4-2-8(18)6-12(11)17(20)21/h1-6,18H,(H,16,19).
What are the key properties of 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide?
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide has a molecular weight of 371.57 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 107988108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).