2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide

C12H16F2N2O2 — CID 69309822

IUPAC2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide
SMILESNC(=O)CNCCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O2/c13-12(14)18-10-5-3-9(4-6-10)2-1-7-16-8-11(15)17/h3-6,12,16H,1-2,7-8H2,(H2,15,17)
InChIKeyPZHKEQBPVPOBMH-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.30
Rot. Bonds8

About 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide

2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide (PubChem CID 69309822) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide.

Molecular Properties

Compound Name2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide
PubChem CID69309822
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide
SMILESNC(=O)CNCCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O2/c13-12(14)18-10-5-3-9(4-6-10)2-1-7-16-8-11(15)17/h3-6,12,16H,1-2,7-8H2,(H2,15,17)
InChIKeyPZHKEQBPVPOBMH-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide?
The IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide (CID 69309822) is 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide.
What is the SMILES notation for 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide?
The canonical SMILES for 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide is NC(=O)CNCCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide?
The InChIKey is PZHKEQBPVPOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-12(14)18-10-5-3-9(4-6-10)2-1-7-16-8-11(15)17/h3-6,12,16H,1-2,7-8H2,(H2,15,17).
What are the key properties of 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide?
2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide has a molecular weight of 258.27 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(difluoromethoxy)phenyl]propylamino]acetamide is sourced from PubChem (CID 69309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).