N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide

C13H9BrCl2N2O — CID 43548736

IUPACN-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/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)
InChIKeyANMWZGCNBHLNLZ-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide

N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide (PubChem CID 43548736) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
PubChem CID43548736
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
SMILESNc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/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)
InChIKeyANMWZGCNBHLNLZ-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.59
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)-2,5-dibromobenzamide
CID 114367682
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide (CID 43548736) is N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide is Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide?
The InChIKey is ANMWZGCNBHLNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/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)-5-bromo-2-chlorobenzamide?
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide has a molecular weight of 360.04 g/mol, XLogP of 4.59, 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)-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 43548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).