2-bromo-N-(2-ethylhexyl)butanamide

C12H24BrNO — CID 62854370

IUPAC2-bromo-N-(2-ethylhexyl)butanamide
SMILESCCCCC(CC)CNC(=O)C(Br)CC
InChIInChI=1S/C12H24BrNO/c1-4-7-8-10(5-2)9-14-12(15)11(13)6-3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyCMRVPSGGHIZLPI-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.49
Rot. Bonds8

About 2-bromo-N-(2-ethylhexyl)butanamide

2-bromo-N-(2-ethylhexyl)butanamide (PubChem CID 62854370) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylhexyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylhexyl)butanamide
PubChem CID62854370
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name2-bromo-N-(2-ethylhexyl)butanamide
SMILESCCCCC(CC)CNC(=O)C(Br)CC
InChIInChI=1S/C12H24BrNO/c1-4-7-8-10(5-2)9-14-12(15)11(13)6-3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyCMRVPSGGHIZLPI-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-ethylhexyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
(2S)-2-acetamido-N-(2-ethylhexyl)propanamide
CID 156690182
2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
(2S)-2-acetamido-N-[(2S)-1-(2-ethylhexylamino)-1-oxopropan-2-yl]propanamide
CID 142590934
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
(E)-N-(2-ethylhexyl)but-2-enamide
CID 23335626
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 107817673

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylhexyl)butanamide?
The IUPAC name of 2-bromo-N-(2-ethylhexyl)butanamide (CID 62854370) is 2-bromo-N-(2-ethylhexyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-ethylhexyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-ethylhexyl)butanamide is CCCCC(CC)CNC(=O)C(Br)CC.
What is the InChIKey of 2-bromo-N-(2-ethylhexyl)butanamide?
The InChIKey is CMRVPSGGHIZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-7-8-10(5-2)9-14-12(15)11(13)6-3/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-ethylhexyl)butanamide?
2-bromo-N-(2-ethylhexyl)butanamide has a molecular weight of 278.23 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylhexyl)butanamide is sourced from PubChem (CID 62854370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).