N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

C20H19FN2O3 — CID 71884287

IUPACN-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)CCOc2ccccc21)NC1CC1c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c21-14-5-3-4-13(10-14)15-11-16(15)22-19(24)12-23-17-6-1-2-7-18(17)26-9-8-20(23)25/h1-7,10,15-16H,8-9,11-12H2,(H,22,24)
InChIKeyHUVJCWNYRADFRZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (PubChem CID 71884287) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
PubChem CID71884287
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)CCOc2ccccc21)NC1CC1c1cccc(F)c1
InChIInChI=1S/C20H19FN2O3/c21-14-5-3-4-13(10-14)15-11-16(15)22-19(24)12-23-17-6-1-2-7-18(17)26-9-8-20(23)25/h1-7,10,15-16H,8-9,11-12H2,(H,22,24)
InChIKeyHUVJCWNYRADFRZ-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9208520
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9225138
2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-propan-2-ylacetamide
CID 18107960
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
2-(benzotriazol-1-yl)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]acetamide
CID 95179354
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 97083828
N-(2-chlorophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9032039
2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-2-phenylacetamide
CID 71900075
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 32777011
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9482186
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9258397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide (CID 71884287) is N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is O=C(CN1C(=O)CCOc2ccccc21)NC1CC1c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
The InChIKey is HUVJCWNYRADFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-14-5-3-4-13(10-14)15-11-16(15)22-19(24)12-23-17-6-1-2-7-18(17)26-9-8-20(23)25/h1-7,10,15-16H,8-9,11-12H2,(H,22,24).
What are the key properties of N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide?
N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)cyclopropyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide is sourced from PubChem (CID 71884287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).