4-amino-3-(2,6-dibromoanilino)benzamide

C13H11Br2N3O — CID 107596524

IUPAC4-amino-3-(2,6-dibromoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H11Br2N3O/c14-8-2-1-3-9(15)12(8)18-11-6-7(13(17)19)4-5-10(11)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyYLNZIOLGSWLPQT-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-3-(2,6-dibromoanilino)benzamide

4-amino-3-(2,6-dibromoanilino)benzamide (PubChem CID 107596524) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is 4-amino-3-(2,6-dibromoanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(2,6-dibromoanilino)benzamide
PubChem CID107596524
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC Name4-amino-3-(2,6-dibromoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2c(Br)cccc2Br)c1
InChIInChI=1S/C13H11Br2N3O/c14-8-2-1-3-9(15)12(8)18-11-6-7(13(17)19)4-5-10(11)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyYLNZIOLGSWLPQT-UHFFFAOYSA-N
XLogP3.64
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-bromoanilino)benzamide
CID 55191226
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
CID 83076786
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
CID 107596572
3-amino-4-[[4-(2-amino-3-bromoanilino)-2,3-dimethylbut-2-enyl]amino]benzamide
CID 138523815
4-amino-3-(4-methylsulfonylanilino)benzamide
CID 63355958
methyl 4-amino-3-(2-bromoanilino)benzoate
CID 82785601
4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,6-dibromoanilino)benzamide?
The IUPAC name of 4-amino-3-(2,6-dibromoanilino)benzamide (CID 107596524) is 4-amino-3-(2,6-dibromoanilino)benzamide.
What is the SMILES notation for 4-amino-3-(2,6-dibromoanilino)benzamide?
The canonical SMILES for 4-amino-3-(2,6-dibromoanilino)benzamide is NC(=O)c1ccc(N)c(Nc2c(Br)cccc2Br)c1.
What is the InChIKey of 4-amino-3-(2,6-dibromoanilino)benzamide?
The InChIKey is YLNZIOLGSWLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c14-8-2-1-3-9(15)12(8)18-11-6-7(13(17)19)4-5-10(11)16/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 4-amino-3-(2,6-dibromoanilino)benzamide?
4-amino-3-(2,6-dibromoanilino)benzamide has a molecular weight of 385.06 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,6-dibromoanilino)benzamide is sourced from PubChem (CID 107596524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).