2-bromo-N-(1-cyclopropylethyl)butanamide

C9H16BrNO — CID 62856130

IUPAC2-bromo-N-(1-cyclopropylethyl)butanamide
SMILESCCC(Br)C(=O)NC(C)C1CC1
InChIInChI=1S/C9H16BrNO/c1-3-8(10)9(12)11-6(2)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyHZFZJJHVSWJKKL-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-N-(1-cyclopropylethyl)butanamide

2-bromo-N-(1-cyclopropylethyl)butanamide (PubChem CID 62856130) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylethyl)butanamide
PubChem CID62856130
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-N-(1-cyclopropylethyl)butanamide
SMILESCCC(Br)C(=O)NC(C)C1CC1
InChIInChI=1S/C9H16BrNO/c1-3-8(10)9(12)11-6(2)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyHZFZJJHVSWJKKL-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
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

N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
2-ethyl-N-(1-piperidin-4-ylethyl)butanamide
CID 43523212
(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
CID 103950949
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
2-amino-N-(1-cyclopropylethyl)-3,3-dimethylbutanamide
CID 76893105
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
(2S)-2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198501
2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198672
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
CID 62856660

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylethyl)butanamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylethyl)butanamide (CID 62856130) is 2-bromo-N-(1-cyclopropylethyl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylethyl)butanamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylethyl)butanamide is CCC(Br)C(=O)NC(C)C1CC1.
What is the InChIKey of 2-bromo-N-(1-cyclopropylethyl)butanamide?
The InChIKey is HZFZJJHVSWJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-3-8(10)9(12)11-6(2)7-4-5-7/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-bromo-N-(1-cyclopropylethyl)butanamide?
2-bromo-N-(1-cyclopropylethyl)butanamide has a molecular weight of 234.14 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-(1-cyclopropylethyl)butanamide is sourced from PubChem (CID 62856130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).