3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide

C13H9BrClN3O3 — CID 115548977

IUPAC3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYTHFBZRKXRLTDQ-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.85
Rot. Bonds3

About 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide

3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide (PubChem CID 115548977) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
PubChem CID115548977
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYTHFBZRKXRLTDQ-UHFFFAOYSA-N
XLogP3.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
CID 115548490
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
CID 115549276
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 115548339

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide (CID 115548977) is 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide is Nc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide?
The InChIKey is YTHFBZRKXRLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide?
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide has a molecular weight of 370.59 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 115548977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).