2,3,4,5-tetrabromo-N-phenylaniline

C12H7Br4N — CID 101290824

IUPAC2,3,4,5-tetrabromo-N-phenylaniline
SMILESBrc1cc(Nc2ccccc2)c(Br)c(Br)c1Br
InChIInChI=1S/C12H7Br4N/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6,17H
InChIKeyYCVUEHYUCHMSAY-UHFFFAOYSA-N
MW484.81 g/mol
LogP6.48
Rot. Bonds2

About 2,3,4,5-tetrabromo-N-phenylaniline

2,3,4,5-tetrabromo-N-phenylaniline (PubChem CID 101290824) has the molecular formula C12H7Br4N and a molecular weight of 484.81 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-N-phenylaniline.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-N-phenylaniline
PubChem CID101290824
Molecular FormulaC12H7Br4N
Molecular Weight484.81 g/mol
Exact Mass480.73
IUPAC Name2,3,4,5-tetrabromo-N-phenylaniline
SMILESBrc1cc(Nc2ccccc2)c(Br)c(Br)c1Br
InChIInChI=1S/C12H7Br4N/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6,17H
InChIKeyYCVUEHYUCHMSAY-UHFFFAOYSA-N
XLogP6.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N-phenylaniline
CID 121009691
5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine
CID 175194478
2-bromo-3-fluoro-N-phenylaniline
CID 141346000
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
CID 91560764
4-anilino-2,6-dibromophenol
CID 25129835
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
3-bromo-N-phenylaniline
CID 14958606
azane;N-phenylaniline
CID 67074378
CID 175904297
CID 175904297
4-bromo-2-ethenyl-N-phenylaniline
CID 139501916
hydrazine;N-phenylaniline
CID 159755629

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabromo-N-phenylaniline?
The IUPAC name of 2,3,4,5-tetrabromo-N-phenylaniline (CID 101290824) is 2,3,4,5-tetrabromo-N-phenylaniline.
What is the SMILES notation for 2,3,4,5-tetrabromo-N-phenylaniline?
The canonical SMILES for 2,3,4,5-tetrabromo-N-phenylaniline is Brc1cc(Nc2ccccc2)c(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4,5-tetrabromo-N-phenylaniline?
The InChIKey is YCVUEHYUCHMSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br4N/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6,17H.
What are the key properties of 2,3,4,5-tetrabromo-N-phenylaniline?
2,3,4,5-tetrabromo-N-phenylaniline has a molecular weight of 484.81 g/mol, XLogP of 6.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-N-phenylaniline is sourced from PubChem (CID 101290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).