N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide

C17H17F2NO4 — CID 9017937

IUPACN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1cc(COc2ccccc2NC(C)=O)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO4/c1-11(21)20-13-5-3-4-6-14(13)23-10-12-7-8-15(24-17(18)19)16(9-12)22-2/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyBGLPQYGCPOXMHE-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide

N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide (PubChem CID 9017937) has the molecular formula C17H17F2NO4 and a molecular weight of 337.32 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
PubChem CID9017937
Molecular FormulaC17H17F2NO4
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1cc(COc2ccccc2NC(C)=O)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO4/c1-11(21)20-13-5-3-4-6-14(13)23-10-12-7-8-15(24-17(18)19)16(9-12)22-2/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyBGLPQYGCPOXMHE-UHFFFAOYSA-N
XLogP3.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide (CID 9017937) is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide is COc1cc(COc2ccccc2NC(C)=O)ccc1OC(F)F.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide?
The InChIKey is BGLPQYGCPOXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4/c1-11(21)20-13-5-3-4-6-14(13)23-10-12-7-8-15(24-17(18)19)16(9-12)22-2/h3-9,17H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide?
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide has a molecular weight of 337.32 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 9017937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).