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

C22H16N2O4 — CID 17359640

IUPAC3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)c1
InChIInChI=1S/C22H16N2O4/c1-27-17-9-5-6-14(13-17)20(25)23-16-8-4-7-15(12-16)21-24-19-11-3-2-10-18(19)22(26)28-21/h2-13H,1H3,(H,23,25)
InChIKeyVKVXUJNEGLMIMN-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.12
Rot. Bonds4

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

3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (PubChem CID 17359640) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
PubChem CID17359640
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)c1
InChIInChI=1S/C22H16N2O4/c1-27-17-9-5-6-14(13-17)20(25)23-16-8-4-7-15(12-16)21-24-19-11-3-2-10-18(19)22(26)28-21/h2-13H,1H3,(H,23,25)
InChIKeyVKVXUJNEGLMIMN-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

2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
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
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (CID 17359640) is 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The InChIKey is VKVXUJNEGLMIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-17-9-5-6-14(13-17)20(25)23-16-8-4-7-15(12-16)21-24-19-11-3-2-10-18(19)22(26)28-21/h2-13H,1H3,(H,23,25).
What are the key properties of 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
3-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 3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 17359640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).