3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide

C12H18ClNO2 — CID 82110423

IUPAC3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC(C)(C)c1ccco1
InChIInChI=1S/C12H18ClNO2/c1-11(2,8-13)10(15)14-12(3,4)9-6-5-7-16-9/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyVYOFBTDYMGDBEP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.90
Rot. Bonds4

About 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide

3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 82110423) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID82110423
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC(C)(C)c1ccco1
InChIInChI=1S/C12H18ClNO2/c1-11(2,8-13)10(15)14-12(3,4)9-6-5-7-16-9/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyVYOFBTDYMGDBEP-UHFFFAOYSA-N
XLogP2.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide (CID 82110423) is 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC(C)(C)c1ccco1.
What is the InChIKey of 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VYOFBTDYMGDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-11(2,8-13)10(15)14-12(3,4)9-6-5-7-16-9/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide?
3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 243.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82110423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).