acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide

C14H20F2N2O3 — CID 143690450

IUPACacetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide
SMILESCC(N)=O.O=C(CCOC(F)F)NCC1=CC=CC=CC1
InChIInChI=1S/C12H15F2NO2.C2H5NO/c13-12(14)17-8-7-11(16)15-9-10-5-3-1-2-4-6-10;1-2(3)4/h1-5,12H,6-9H2,(H,15,16);1H3,(H2,3,4)
InChIKeyJYAOTEVULLWDIP-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.67
Rot. Bonds6

About acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide

acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide (PubChem CID 143690450) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide.

Molecular Properties

Compound Nameacetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide
PubChem CID143690450
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Nameacetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide
SMILESCC(N)=O.O=C(CCOC(F)F)NCC1=CC=CC=CC1
InChIInChI=1S/C12H15F2NO2.C2H5NO/c13-12(14)17-8-7-11(16)15-9-10-5-3-1-2-4-6-10;1-2(3)4/h1-5,12H,6-9H2,(H,15,16);1H3,(H2,3,4)
InChIKeyJYAOTEVULLWDIP-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide?
The IUPAC name of acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide (CID 143690450) is acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide.
What is the SMILES notation for acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide?
The canonical SMILES for acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide is CC(N)=O.O=C(CCOC(F)F)NCC1=CC=CC=CC1.
What is the InChIKey of acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide?
The InChIKey is JYAOTEVULLWDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2.C2H5NO/c13-12(14)17-8-7-11(16)15-9-10-5-3-1-2-4-6-10;1-2(3)4/h1-5,12H,6-9H2,(H,15,16);1H3,(H2,3,4).
What are the key properties of acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide?
acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide has a molecular weight of 302.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-(cyclohepta-1,3,5-trien-1-ylmethyl)-3-(difluoromethoxy)propanamide is sourced from PubChem (CID 143690450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).