2-amino-3-(2-bromophenyl)naphthalene-1,4-dione

C16H10BrNO2 — CID 102334930

IUPAC2-amino-3-(2-bromophenyl)naphthalene-1,4-dione
SMILESNC1=C(c2ccccc2Br)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10BrNO2/c17-12-8-4-3-7-11(12)13-14(18)16(20)10-6-2-1-5-9(10)15(13)19/h1-8H,18H2
InChIKeyNEYBDQSKUHVUCC-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.20
Rot. Bonds1

About 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione

2-amino-3-(2-bromophenyl)naphthalene-1,4-dione (PubChem CID 102334930) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-(2-bromophenyl)naphthalene-1,4-dione
PubChem CID102334930
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name2-amino-3-(2-bromophenyl)naphthalene-1,4-dione
SMILESNC1=C(c2ccccc2Br)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10BrNO2/c17-12-8-4-3-7-11(12)13-14(18)16(20)10-6-2-1-5-9(10)15(13)19/h1-8H,18H2
InChIKeyNEYBDQSKUHVUCC-UHFFFAOYSA-N
XLogP3.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-chlorophenyl)naphthalene-1,4-dione
CID 90646352
2,3-diaminonaphthalene-1,4-dione
CID 4167268
2-amino-3-(4-iodophenyl)naphthalene-1,4-dione
CID 1405554
2-amino-3-(4-fluorophenyl)naphthalene-1,4-dione
CID 950095
CID 158261979
CID 158261979
2-amino-3-(3-chlorophenyl)naphthalene-1,4-dione
CID 90646353
2-amino-3-(4-bromoanilino)naphthalene-1,4-dione
CID 4982829
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
phenanthrene-9,10-dione
CID 6763

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione?
The IUPAC name of 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione (CID 102334930) is 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione is NC1=C(c2ccccc2Br)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione?
The InChIKey is NEYBDQSKUHVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-12-8-4-3-7-11(12)13-14(18)16(20)10-6-2-1-5-9(10)15(13)19/h1-8H,18H2.
What are the key properties of 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione?
2-amino-3-(2-bromophenyl)naphthalene-1,4-dione has a molecular weight of 328.17 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromophenyl)naphthalene-1,4-dione is sourced from PubChem (CID 102334930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).