2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide

C18H17FN2O4 — CID 110783822

IUPAC2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc2c(c1)NC(=O)CCO2
InChIInChI=1S/C18H17FN2O4/c19-13-3-1-2-4-15(13)25-11-18(23)20-10-12-5-6-16-14(9-12)21-17(22)7-8-24-16/h1-6,9H,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeyUAKVYMNINVVKDC-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide

2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide (PubChem CID 110783822) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide
PubChem CID110783822
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc2c(c1)NC(=O)CCO2
InChIInChI=1S/C18H17FN2O4/c19-13-3-1-2-4-15(13)25-11-18(23)20-10-12-5-6-16-14(9-12)21-17(22)7-8-24-16/h1-6,9H,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeyUAKVYMNINVVKDC-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770729
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-phenylpropanamide
CID 110783785
N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770722
2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
3,3-dimethyl-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]butanamide
CID 110783804
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110792411
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783780
1-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775255
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439
3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
CID 110790137

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide (CID 110783822) is 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide is O=C(COc1ccccc1F)NCc1ccc2c(c1)NC(=O)CCO2.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide?
The InChIKey is UAKVYMNINVVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-13-3-1-2-4-15(13)25-11-18(23)20-10-12-5-6-16-14(9-12)21-17(22)7-8-24-16/h1-6,9H,7-8,10-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide?
2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide is sourced from PubChem (CID 110783822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).