4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide

C12H13F2NO2 — CID 165140222

IUPAC4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-15(17-2)12(16)8-5-9(13)11(7-3-4-7)10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyHDRIKQRTJYBXNU-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.48
Rot. Bonds3

About 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide

4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide (PubChem CID 165140222) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide
PubChem CID165140222
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C12H13F2NO2/c1-15(17-2)12(16)8-5-9(13)11(7-3-4-7)10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyHDRIKQRTJYBXNU-UHFFFAOYSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide (CID 165140222) is 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cc(F)c(C2CC2)c(F)c1.
What is the InChIKey of 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide?
The InChIKey is HDRIKQRTJYBXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-15(17-2)12(16)8-5-9(13)11(7-3-4-7)10(14)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide?
4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide has a molecular weight of 241.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 165140222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).