N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide

C13H9Br3N2O — CID 114367768

IUPACN-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
SMILESNc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1Br
InChIInChI=1S/C13H9Br3N2O/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H,18,19)
InChIKeyZVCCUUXFPYPHIU-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.81
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide

N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide (PubChem CID 114367768) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
PubChem CID114367768
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC NameN-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
SMILESNc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1Br
InChIInChI=1S/C13H9Br3N2O/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H,18,19)
InChIKeyZVCCUUXFPYPHIU-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.81
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

2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide (CID 114367768) is N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide is Nc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide?
The InChIKey is ZVCCUUXFPYPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-12(17)11(16)6-8/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide?
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide has a molecular weight of 448.94 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide is sourced from PubChem (CID 114367768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).