N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide

C13H7BrCl2N2O3 — CID 43215256

IUPACN-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrCl2N2O3/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,(H,17,19)
InChIKeyBJWGFTJBJMBTTP-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide

N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide (PubChem CID 43215256) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
PubChem CID43215256
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC NameN-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrCl2N2O3/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,(H,17,19)
InChIKeyBJWGFTJBJMBTTP-UHFFFAOYSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
CID 62154698
3,4-dichloro-N-(2-chlorophenyl)-5-nitrobenzamide
CID 43215262
4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3523011
3,4-dichloro-N-methyl-5-nitrobenzamide
CID 43215307
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
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
3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55023839

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide?
The IUPAC name of N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide (CID 43215256) is N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide?
The canonical SMILES for N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide is O=C(Nc1ccccc1Br)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide?
The InChIKey is BJWGFTJBJMBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/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,(H,17,19).
What are the key properties of N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide?
N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide has a molecular weight of 390.02 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide is sourced from PubChem (CID 43215256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).