1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide

C20H14Br2N2O2 — CID 1380942

IUPAC1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H14Br2N2O2/c21-15-4-8-17(9-5-15)23-19(25)13-2-1-3-14(12-13)20(26)24-18-10-6-16(22)7-11-18/h1-12H,(H,23,25)(H,24,26)
InChIKeyRUTDFUAVXNOLSZ-UHFFFAOYSA-N
MW474.15 g/mol
LogP5.72
Rot. Bonds4

About 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide (PubChem CID 1380942) has the molecular formula C20H14Br2N2O2 and a molecular weight of 474.15 g/mol. Its IUPAC name is 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide
PubChem CID1380942
Molecular FormulaC20H14Br2N2O2
Molecular Weight474.15 g/mol
Exact Mass471.94
IUPAC Name1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H14Br2N2O2/c21-15-4-8-17(9-5-15)23-19(25)13-2-1-3-14(12-13)20(26)24-18-10-6-16(22)7-11-18/h1-12H,(H,23,25)(H,24,26)
InChIKeyRUTDFUAVXNOLSZ-UHFFFAOYSA-N
XLogP5.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.15
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide (CID 1380942) is 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(Br)cc1)c1cccc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide?
The InChIKey is RUTDFUAVXNOLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O2/c21-15-4-8-17(9-5-15)23-19(25)13-2-1-3-14(12-13)20(26)24-18-10-6-16(22)7-11-18/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide has a molecular weight of 474.15 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-bromophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 1380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).