N-(5-bromopentan-2-yl)butanamide

C9H18BrNO — CID 114316345

IUPACN-(5-bromopentan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CCCBr
InChIInChI=1S/C9H18BrNO/c1-3-5-9(12)11-8(2)6-4-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFKJZYXDDBUAYQP-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.47
Rot. Bonds6

About N-(5-bromopentan-2-yl)butanamide

N-(5-bromopentan-2-yl)butanamide (PubChem CID 114316345) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)butanamide
PubChem CID114316345
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(5-bromopentan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CCCBr
InChIInChI=1S/C9H18BrNO/c1-3-5-9(12)11-8(2)6-4-7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyFKJZYXDDBUAYQP-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.47
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

N-hexan-2-ylbutanamide
CID 64592038
N-(6-methylheptan-2-yl)butanamide
CID 60644759
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
2-bromo-N-pentan-2-ylacetamide
CID 54179178
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
ethane;N-propan-2-ylbutanamide
CID 169175258
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192
N-pentan-2-ylundecanamide
CID 173258559
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)butanamide?
The IUPAC name of N-(5-bromopentan-2-yl)butanamide (CID 114316345) is N-(5-bromopentan-2-yl)butanamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)butanamide?
The canonical SMILES for N-(5-bromopentan-2-yl)butanamide is CCCC(=O)NC(C)CCCBr.
What is the InChIKey of N-(5-bromopentan-2-yl)butanamide?
The InChIKey is FKJZYXDDBUAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-3-5-9(12)11-8(2)6-4-7-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(5-bromopentan-2-yl)butanamide?
N-(5-bromopentan-2-yl)butanamide has a molecular weight of 236.15 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)butanamide is sourced from PubChem (CID 114316345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).