2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide

C13H9Br2ClN2O — CID 81263873

IUPAC2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-4-2-8(16)6-10(12)15/h1-6H,17H2,(H,18,19)
InChIKeyQNSXELLOIDDTEZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.70
Rot. Bonds2

About 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide

2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide (PubChem CID 81263873) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
PubChem CID81263873
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC Name2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-4-2-8(16)6-10(12)15/h1-6H,17H2,(H,18,19)
InChIKeyQNSXELLOIDDTEZ-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

2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide (CID 81263873) is 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide is Nc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide?
The InChIKey is QNSXELLOIDDTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(11(17)5-7)13(19)18-12-4-2-8(16)6-10(12)15/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide?
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide 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 2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide is sourced from PubChem (CID 81263873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).