N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide

C19H19FN2O3 — CID 56792455

IUPACN-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCOc2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3/c20-15-6-7-16-17(13-15)25-11-10-22(16)19(24)8-9-21-18(23)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,21,23)
InChIKeyPJEPMWSSBAQFBQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide

N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide (PubChem CID 56792455) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
PubChem CID56792455
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)N1CCOc2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3/c20-15-6-7-16-17(13-15)25-11-10-22(16)19(24)8-9-21-18(23)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,21,23)
InChIKeyPJEPMWSSBAQFBQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 86972389
4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 22512732
N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
CID 110742366
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-oxobutanamide
CID 56583090
N-[3-[benzyl(ethyl)amino]propyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22513091
3-(methylamino)-1-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 83632912
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,2-diphenylethyl)-4-oxobutanamide
CID 56563124
N,N-dibenzyl-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56582322
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22512761
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 56562979
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 56782570

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide (CID 56792455) is N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC(=O)N1CCOc2cc(F)ccc21.
What is the InChIKey of N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide?
The InChIKey is PJEPMWSSBAQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-6-7-16-17(13-15)25-11-10-22(16)19(24)8-9-21-18(23)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,21,23).
What are the key properties of N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide?
N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide has a molecular weight of 342.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 56792455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).