2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide

C10H18Br2N2O2 — CID 3851441

IUPAC2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCNC(=O)C(Br)CC
InChIInChI=1S/C10H18Br2N2O2/c1-3-7(11)9(15)13-5-6-14-10(16)8(12)4-2/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZLCVERVTANFFLI-UHFFFAOYSA-N
MW358.07 g/mol
LogP1.57
Rot. Bonds7

About 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide

2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide (PubChem CID 3851441) has the molecular formula C10H18Br2N2O2 and a molecular weight of 358.07 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide
PubChem CID3851441
Molecular FormulaC10H18Br2N2O2
Molecular Weight358.07 g/mol
Exact Mass355.97
IUPAC Name2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCNC(=O)C(Br)CC
InChIInChI=1S/C10H18Br2N2O2/c1-3-7(11)9(15)13-5-6-14-10(16)8(12)4-2/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZLCVERVTANFFLI-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide (CID 3851441) is 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide is CCC(Br)C(=O)NCCNC(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide?
The InChIKey is ZLCVERVTANFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2N2O2/c1-3-7(11)9(15)13-5-6-14-10(16)8(12)4-2/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide?
2-bromo-N-[2-(2-bromobutanoylamino)ethyl]butanamide has a molecular weight of 358.07 g/mol, XLogP of 1.57, 7 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-bromobutanoylamino)ethyl]butanamide is sourced from PubChem (CID 3851441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).