5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide

C10H13BrClNO2 — CID 63393502

IUPAC5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(CCCl)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrClNO2/c1-7(2)13(6-5-12)10(14)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPNCBLEVNFMAVLE-UHFFFAOYSA-N
MW294.58 g/mol
LogP3.13
Rot. Bonds4

About 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide

5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide (PubChem CID 63393502) has the molecular formula C10H13BrClNO2 and a molecular weight of 294.58 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
PubChem CID63393502
Molecular FormulaC10H13BrClNO2
Molecular Weight294.58 g/mol
Exact Mass292.98
IUPAC Name5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(CCCl)C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrClNO2/c1-7(2)13(6-5-12)10(14)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3
InChIKeyPNCBLEVNFMAVLE-UHFFFAOYSA-N
XLogP3.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide (CID 63393502) is 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide is CC(C)N(CCCl)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is PNCBLEVNFMAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2/c1-7(2)13(6-5-12)10(14)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide?
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 294.58 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 63393502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).