N,N'-bis(2-bromophenyl)butanediamide

C16H14Br2N2O2 — CID 1039657

IUPACN,N'-bis(2-bromophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Br)Nc1ccccc1Br
InChIInChI=1S/C16H14Br2N2O2/c17-11-5-1-3-7-13(11)19-15(21)9-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyLBTYXFSDVGZBMU-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.57
Rot. Bonds5

About N,N'-bis(2-bromophenyl)butanediamide

N,N'-bis(2-bromophenyl)butanediamide (PubChem CID 1039657) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is N,N'-bis(2-bromophenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2-bromophenyl)butanediamide
PubChem CID1039657
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC NameN,N'-bis(2-bromophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Br)Nc1ccccc1Br
InChIInChI=1S/C16H14Br2N2O2/c17-11-5-1-3-7-13(11)19-15(21)9-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyLBTYXFSDVGZBMU-UHFFFAOYSA-N
XLogP4.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(2-bromoanilino)-5-oxopentanoate
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[2-(2-bromoanilino)-2-oxoethyl]-methylazanium
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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-bromophenyl)butanediamide?
The IUPAC name of N,N'-bis(2-bromophenyl)butanediamide (CID 1039657) is N,N'-bis(2-bromophenyl)butanediamide.
What is the SMILES notation for N,N'-bis(2-bromophenyl)butanediamide?
The canonical SMILES for N,N'-bis(2-bromophenyl)butanediamide is O=C(CCC(=O)Nc1ccccc1Br)Nc1ccccc1Br.
What is the InChIKey of N,N'-bis(2-bromophenyl)butanediamide?
The InChIKey is LBTYXFSDVGZBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c17-11-5-1-3-7-13(11)19-15(21)9-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(2-bromophenyl)butanediamide?
N,N'-bis(2-bromophenyl)butanediamide has a molecular weight of 426.11 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-bromophenyl)butanediamide is sourced from PubChem (CID 1039657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).