N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide

C13H9Br2ClN2O — CID 114367682

IUPACN-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-10(15)9(5-7)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyAIIFJTSNJCPVKB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.70
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide

N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide (PubChem CID 114367682) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
PubChem CID114367682
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC NameN-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-10(15)9(5-7)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19)
InChIKeyAIIFJTSNJCPVKB-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide (CID 114367682) is N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide is Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide?
The InChIKey is AIIFJTSNJCPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c14-7-1-3-10(15)9(5-7)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide?
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide has a molecular weight of 404.49 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide is sourced from PubChem (CID 114367682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).