2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide

C16H14Br2N2O2 — CID 3129728

IUPAC2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C16H14Br2N2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyIAOUMWXSLCRAHN-UHFFFAOYSA-N
MW426.11 g/mol
LogP3.37
Rot. Bonds5

About 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide

2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide (PubChem CID 3129728) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide
PubChem CID3129728
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC Name2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C16H14Br2N2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyIAOUMWXSLCRAHN-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide (CID 3129728) is 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide?
The InChIKey is IAOUMWXSLCRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide?
2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide has a molecular weight of 426.11 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(2-bromobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 3129728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).