3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide

C13H8BrCl3N2O — CID 62915199

IUPAC3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Br)ccc2Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl3N2O/c14-7-1-2-8(15)11(5-7)19-13(20)6-3-9(16)12(17)10(18)4-6/h1-5H,18H2,(H,19,20)
InChIKeyRGSNSHRHCYDFDR-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.24
Rot. Bonds2

About 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide

3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide (PubChem CID 62915199) has the molecular formula C13H8BrCl3N2O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
PubChem CID62915199
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC Name3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Br)ccc2Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl3N2O/c14-7-1-2-8(15)11(5-7)19-13(20)6-3-9(16)12(17)10(18)4-6/h1-5H,18H2,(H,19,20)
InChIKeyRGSNSHRHCYDFDR-UHFFFAOYSA-N
XLogP5.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.24
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

3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide (CID 62915199) is 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide is Nc1cc(C(=O)Nc2cc(Br)ccc2Cl)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide?
The InChIKey is RGSNSHRHCYDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c14-7-1-2-8(15)11(5-7)19-13(20)6-3-9(16)12(17)10(18)4-6/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide?
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide has a molecular weight of 394.48 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide is sourced from PubChem (CID 62915199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).