molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide

C27H20N2O3 — CID 143844150

IUPACmolecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1cccc(-c2ccccc2)c1.[H][H]
InChIInChI=1S/C27H18N2O3.H2/c30-25(20-12-8-11-19(17-20)18-9-2-1-3-10-18)28-23-15-6-4-13-21(23)26-29-24-16-7-5-14-22(24)27(31)32-26;/h1-17H,(H,28,30);1H
InChIKeyZQUIKSOLLJYCKN-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.02
Rot. Bonds4

About molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide

molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide (PubChem CID 143844150) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
PubChem CID143844150
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Namemolecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1cccc(-c2ccccc2)c1.[H][H]
InChIInChI=1S/C27H18N2O3.H2/c30-25(20-12-8-11-19(17-20)18-9-2-1-3-10-18)28-23-15-6-4-13-21(23)26-29-24-16-7-5-14-22(24)27(31)32-26;/h1-17H,(H,28,30);1H
InChIKeyZQUIKSOLLJYCKN-UHFFFAOYSA-N
XLogP6.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pyrazine-2-carboxamide
CID 143844190
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
CID 143844182
1-(3-chlorophenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616063
[3-[[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 143844163
N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3646592
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4132611
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide?
The IUPAC name of molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide (CID 143844150) is molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide.
What is the SMILES notation for molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide?
The canonical SMILES for molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide is O=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)c1cccc(-c2ccccc2)c1.[H][H].
What is the InChIKey of molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide?
The InChIKey is ZQUIKSOLLJYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O3.H2/c30-25(20-12-8-11-19(17-20)18-9-2-1-3-10-18)28-23-15-6-4-13-21(23)26-29-24-16-7-5-14-22(24)27(31)32-26;/h1-17H,(H,28,30);1H.
What are the key properties of molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide?
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide is sourced from PubChem (CID 143844150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).