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

C16H14N2O3 — CID 853671

IUPACN-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20)/t16-/m0/s1
InChIKeyFLHCLUICGGJALC-INIZCTEOSA-N
MW282.30 g/mol
LogP2.47
Rot. Bonds2

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

N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide (PubChem CID 853671) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
PubChem CID853671
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20)/t16-/m0/s1
InChIKeyFLHCLUICGGJALC-INIZCTEOSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide (CID 853671) is N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide?
The InChIKey is FLHCLUICGGJALC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20)/t16-/m0/s1.
What are the key properties of N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide?
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 853671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).