3-amino-4-bromo-N-(3-bromophenyl)benzamide

C13H10Br2N2O — CID 61091693

IUPAC3-amino-4-bromo-N-(3-bromophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(Br)c2)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyWWNNDPKOUJNTJI-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.05
Rot. Bonds2

About 3-amino-4-bromo-N-(3-bromophenyl)benzamide

3-amino-4-bromo-N-(3-bromophenyl)benzamide (PubChem CID 61091693) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(3-bromophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(3-bromophenyl)benzamide
PubChem CID61091693
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name3-amino-4-bromo-N-(3-bromophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(Br)c2)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,16H2,(H,17,18)
InChIKeyWWNNDPKOUJNTJI-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-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
3-amino-4-bromo-N-(4-cyanophenyl)benzamide
CID 61091150

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(3-bromophenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(3-bromophenyl)benzamide (CID 61091693) is 3-amino-4-bromo-N-(3-bromophenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(3-bromophenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(3-bromophenyl)benzamide is Nc1cc(C(=O)Nc2cccc(Br)c2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(3-bromophenyl)benzamide?
The InChIKey is WWNNDPKOUJNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,16H2,(H,17,18).
What are the key properties of 3-amino-4-bromo-N-(3-bromophenyl)benzamide?
3-amino-4-bromo-N-(3-bromophenyl)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-4-bromo-N-(3-bromophenyl)benzamide is sourced from PubChem (CID 61091693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).