2-bromo-N-cyclohexyl-N-methylpropanamide

C10H18BrNO — CID 82110244

IUPAC2-bromo-N-cyclohexyl-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H18BrNO/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYELOZZXTNUXOCF-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.56
Rot. Bonds2

About 2-bromo-N-cyclohexyl-N-methylpropanamide

2-bromo-N-cyclohexyl-N-methylpropanamide (PubChem CID 82110244) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-methylpropanamide
PubChem CID82110244
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-N-cyclohexyl-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H18BrNO/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyYELOZZXTNUXOCF-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-methylpropanamide (CID 82110244) is 2-bromo-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-methylpropanamide is CC(Br)C(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-methylpropanamide?
The InChIKey is YELOZZXTNUXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-methylpropanamide?
2-bromo-N-cyclohexyl-N-methylpropanamide has a molecular weight of 248.16 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 82110244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).