3-amino-N-(2,5-dibromophenyl)benzamide

C13H10Br2N2O — CID 43714178

IUPAC3-amino-N-(2,5-dibromophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H10Br2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyJQLFXMQGWMSHHF-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.05
Rot. Bonds2

About 3-amino-N-(2,5-dibromophenyl)benzamide

3-amino-N-(2,5-dibromophenyl)benzamide (PubChem CID 43714178) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 3-amino-N-(2,5-dibromophenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dibromophenyl)benzamide
PubChem CID43714178
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name3-amino-N-(2,5-dibromophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C13H10Br2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyJQLFXMQGWMSHHF-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.05
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-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-[(3-aminobenzoyl)amino]-4-bromobenzoic acid
CID 107813567
N-(5-amino-2-bromophenyl)benzamide
CID 833748
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
CID 81092795
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
N-(2,5-dibromophenyl)-3H-benzimidazole-5-carboxamide
CID 61261029
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
4-amino-N-(2,5-dibromophenyl)-1H-pyrrole-2-carboxamide
CID 54955471
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dibromophenyl)benzamide?
The IUPAC name of 3-amino-N-(2,5-dibromophenyl)benzamide (CID 43714178) is 3-amino-N-(2,5-dibromophenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,5-dibromophenyl)benzamide?
The canonical SMILES for 3-amino-N-(2,5-dibromophenyl)benzamide is Nc1cccc(C(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of 3-amino-N-(2,5-dibromophenyl)benzamide?
The InChIKey is JQLFXMQGWMSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c14-9-4-5-11(15)12(7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-N-(2,5-dibromophenyl)benzamide?
3-amino-N-(2,5-dibromophenyl)benzamide has a molecular weight of 370.04 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dibromophenyl)benzamide is sourced from PubChem (CID 43714178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).