N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H19FN2O3 — CID 18200595

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C1COc2ccccc2N1CC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22(16-9-10-16)19(24)12-23-17-3-1-2-4-18(17)26-13-20(23)25/h1-8,16H,9-13H2
InChIKeyXWTWOPLEKHMENW-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.74
Rot. Bonds5

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18200595) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18200595
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C1COc2ccccc2N1CC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22(16-9-10-16)19(24)12-23-17-3-1-2-4-18(17)26-13-20(23)25/h1-8,16H,9-13H2
InChIKeyXWTWOPLEKHMENW-UHFFFAOYSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18164909
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 39968246
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
N-cyclopropyl-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98511802
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72847131
N-cyclopropyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98886415
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18200595) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C1COc2ccccc2N1CC(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XWTWOPLEKHMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-15-7-5-14(6-8-15)11-22(16-9-10-16)19(24)12-23-17-3-1-2-4-18(17)26-13-20(23)25/h1-8,16H,9-13H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18200595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).