2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide

C22H16N2O4 — CID 2996600

IUPAC2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H16N2O4/c1-27-19-12-5-3-10-17(19)20(25)23-15-8-6-7-14(13-15)21-24-18-11-4-2-9-16(18)22(26)28-21/h2-13H,1H3,(H,23,25)
InChIKeyMOFQLQAHLWUSSH-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.12
Rot. Bonds4

About 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide

2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (PubChem CID 2996600) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
PubChem CID2996600
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H16N2O4/c1-27-19-12-5-3-10-17(19)20(25)23-15-8-6-7-14(13-15)21-24-18-11-4-2-9-16(18)22(26)28-21/h2-13H,1H3,(H,23,25)
InChIKeyMOFQLQAHLWUSSH-UHFFFAOYSA-N
XLogP4.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-4-propoxybenzamide
CID 17359643
[4-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]phenyl] propanoate
CID 17359655
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
(E)-3-(3,5-dibromo-2-methoxyphenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]prop-2-enamide
CID 17359737
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (CID 2996600) is 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The InChIKey is MOFQLQAHLWUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-19-12-5-3-10-17(19)20(25)23-15-8-6-7-14(13-15)21-24-18-11-4-2-9-16(18)22(26)28-21/h2-13H,1H3,(H,23,25).
What are the key properties of 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 2996600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).