2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide

C9H9BrClNO2 — CID 106856218

IUPAC2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide
SMILESO=C(NC1(CCl)CC1)c1ccoc1Br
InChIInChI=1S/C9H9BrClNO2/c10-7-6(1-4-14-7)8(13)12-9(5-11)2-3-9/h1,4H,2-3,5H2,(H,12,13)
InChIKeyKCMBAHLRXXJBEA-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.54
Rot. Bonds3

About 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide

2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide (PubChem CID 106856218) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide
PubChem CID106856218
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide
SMILESO=C(NC1(CCl)CC1)c1ccoc1Br
InChIInChI=1S/C9H9BrClNO2/c10-7-6(1-4-14-7)8(13)12-9(5-11)2-3-9/h1,4H,2-3,5H2,(H,12,13)
InChIKeyKCMBAHLRXXJBEA-UHFFFAOYSA-N
XLogP2.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide (CID 106856218) is 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide is O=C(NC1(CCl)CC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide?
The InChIKey is KCMBAHLRXXJBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-7-6(1-4-14-7)8(13)12-9(5-11)2-3-9/h1,4H,2-3,5H2,(H,12,13).
What are the key properties of 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide?
2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide has a molecular weight of 278.53 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(chloromethyl)cyclopropyl]furan-3-carboxamide is sourced from PubChem (CID 106856218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).