N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H20F2N2O4 — CID 55656206

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O4/c1-2-14(13-7-3-5-9-16(13)28-20(21)22)23-18(25)11-24-15-8-4-6-10-17(15)27-12-19(24)26/h3-10,14,20H,2,11-12H2,1H3,(H,23,25)
InChIKeyBDMZJDZJFNLSQG-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.28
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 55656206) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID55656206
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O4/c1-2-14(13-7-3-5-9-16(13)28-20(21)22)23-18(25)11-24-15-8-4-6-10-17(15)27-12-19(24)26/h3-10,14,20H,2,11-12H2,1H3,(H,23,25)
InChIKeyBDMZJDZJFNLSQG-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 9236392
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2993235
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55656295
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 39968246
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 18143927
N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 25367856
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
naphthalen-1-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886676

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 55656206) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is BDMZJDZJFNLSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-2-14(13-7-3-5-9-16(13)28-20(21)22)23-18(25)11-24-15-8-4-6-10-17(15)27-12-19(24)26/h3-10,14,20H,2,11-12H2,1H3,(H,23,25).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 390.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 55656206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).