N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide

C13H7BrCl2N2O3 — CID 62908559

IUPACN-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7BrCl2N2O3/c14-7-1-3-11(16)12(5-7)17-13(19)9-6-8(18(20)21)2-4-10(9)15/h1-6H,(H,17,19)
InChIKeyYGXJRMQRPBRSTI-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide

N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide (PubChem CID 62908559) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
PubChem CID62908559
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7BrCl2N2O3/c14-7-1-3-11(16)12(5-7)17-13(19)9-6-8(18(20)21)2-4-10(9)15/h1-6H,(H,17,19)
InChIKeyYGXJRMQRPBRSTI-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

N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-(5-bromo-2-chloroanilino)-5-nitrobenzoic acid
CID 63537696
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
2-amino-4-bromo-N-(2-chloro-4-nitrophenyl)benzamide
CID 79704221
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
CID 115548977
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide (CID 62908559) is N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide is O=C(Nc1cc(Br)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide?
The InChIKey is YGXJRMQRPBRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-7-1-3-11(16)12(5-7)17-13(19)9-6-8(18(20)21)2-4-10(9)15/h1-6H,(H,17,19).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide?
N-(5-bromo-2-chlorophenyl)-2-chloro-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-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 62908559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).