4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide

C13H9BrClN3O3 — CID 62154698

IUPAC4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyHLBJXBMRYQWVDJ-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.85
Rot. Bonds3

About 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide

4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide (PubChem CID 62154698) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
PubChem CID62154698
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
SMILESNc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrClN3O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyHLBJXBMRYQWVDJ-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

N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62152357
4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62154502
N-(2-bromophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3618267
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide?
The IUPAC name of 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide (CID 62154698) is 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide?
The canonical SMILES for 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide is Nc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide?
The InChIKey is HLBJXBMRYQWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-8-3-1-2-4-10(8)17-13(19)7-5-9(15)12(16)11(6-7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide?
4-amino-N-(2-bromophenyl)-3-chloro-5-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 4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide is sourced from PubChem (CID 62154698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).