2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide

C13H9BrCl2N2O — CID 79715050

IUPAC2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-6-8(15)2-4-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyZNFHMUYDDQJQPC-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

About 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide

2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide (PubChem CID 79715050) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
PubChem CID79715050
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-6-8(15)2-4-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyZNFHMUYDDQJQPC-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

2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide (CID 79715050) is 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide?
The InChIKey is ZNFHMUYDDQJQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-6-8(15)2-4-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide?
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide 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 2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide is sourced from PubChem (CID 79715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).