2-bromo-N-pentan-2-ylpropanamide

C8H16BrNO — CID 81222887

IUPAC2-bromo-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Br
InChIInChI=1S/C8H16BrNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyMNNVBJNBNWYEDC-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-N-pentan-2-ylpropanamide

2-bromo-N-pentan-2-ylpropanamide (PubChem CID 81222887) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-bromo-N-pentan-2-ylpropanamide
PubChem CID81222887
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Br
InChIInChI=1S/C8H16BrNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyMNNVBJNBNWYEDC-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide
CID 107905788
2-iodo-N-pentan-2-ylbutanamide
CID 149238445
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-butan-2-yl-2-propylpentanamide
CID 115532227
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
CID 103705836
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
2,3,4,5-tetrahydroxy-N-pentan-2-ylpentanamide
CID 130321877
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentan-2-ylpropanamide?
The IUPAC name of 2-bromo-N-pentan-2-ylpropanamide (CID 81222887) is 2-bromo-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-bromo-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-bromo-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-pentan-2-ylpropanamide?
The InChIKey is MNNVBJNBNWYEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-4-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-bromo-N-pentan-2-ylpropanamide?
2-bromo-N-pentan-2-ylpropanamide has a molecular weight of 222.13 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81222887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).