4-bromo-N-(1-chlorocyclopropyl)butanamide

C7H11BrClNO — CID 58911273

IUPAC4-bromo-N-(1-chlorocyclopropyl)butanamide
SMILESO=C(CCCBr)NC1(Cl)CC1
InChIInChI=1S/C7H11BrClNO/c8-5-1-2-6(11)10-7(9)3-4-7/h1-5H2,(H,10,11)
InChIKeyHEQIYXFVVMELNR-UHFFFAOYSA-N
MW240.53 g/mol
LogP2.01
Rot. Bonds4

About 4-bromo-N-(1-chlorocyclopropyl)butanamide

4-bromo-N-(1-chlorocyclopropyl)butanamide (PubChem CID 58911273) has the molecular formula C7H11BrClNO and a molecular weight of 240.53 g/mol. Its IUPAC name is 4-bromo-N-(1-chlorocyclopropyl)butanamide.

Molecular Properties

Compound Name4-bromo-N-(1-chlorocyclopropyl)butanamide
PubChem CID58911273
Molecular FormulaC7H11BrClNO
Molecular Weight240.53 g/mol
Exact Mass238.97
IUPAC Name4-bromo-N-(1-chlorocyclopropyl)butanamide
SMILESO=C(CCCBr)NC1(Cl)CC1
InChIInChI=1S/C7H11BrClNO/c8-5-1-2-6(11)10-7(9)3-4-7/h1-5H2,(H,10,11)
InChIKeyHEQIYXFVVMELNR-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chlorocyclopropyl)butanamide?
The IUPAC name of 4-bromo-N-(1-chlorocyclopropyl)butanamide (CID 58911273) is 4-bromo-N-(1-chlorocyclopropyl)butanamide.
What is the SMILES notation for 4-bromo-N-(1-chlorocyclopropyl)butanamide?
The canonical SMILES for 4-bromo-N-(1-chlorocyclopropyl)butanamide is O=C(CCCBr)NC1(Cl)CC1.
What is the InChIKey of 4-bromo-N-(1-chlorocyclopropyl)butanamide?
The InChIKey is HEQIYXFVVMELNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrClNO/c8-5-1-2-6(11)10-7(9)3-4-7/h1-5H2,(H,10,11).
What are the key properties of 4-bromo-N-(1-chlorocyclopropyl)butanamide?
4-bromo-N-(1-chlorocyclopropyl)butanamide has a molecular weight of 240.53 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chlorocyclopropyl)butanamide is sourced from PubChem (CID 58911273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).