N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide

C23H14N2O4 — CID 6496846

IUPACN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cc2ccccc2o1
InChIInChI=1S/C23H14N2O4/c26-21(20-13-14-6-1-4-11-19(14)28-20)24-16-8-5-7-15(12-16)22-25-18-10-3-2-9-17(18)23(27)29-22/h1-13H,(H,24,26)
InChIKeyPWVKCVOGQYJJPK-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.85
Rot. Bonds3

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

N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 6496846) has the molecular formula C23H14N2O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID6496846
Molecular FormulaC23H14N2O4
Molecular Weight382.38 g/mol
Exact Mass382.10
IUPAC NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cc2ccccc2o1
InChIInChI=1S/C23H14N2O4/c26-21(20-13-14-6-1-4-11-19(14)28-20)24-16-8-5-7-15(12-16)22-25-18-10-3-2-9-17(18)23(27)29-22/h1-13H,(H,24,26)
InChIKeyPWVKCVOGQYJJPK-UHFFFAOYSA-N
XLogP4.85
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 40615868
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
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
2-(4-nitrophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359672
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide (CID 6496846) is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is PWVKCVOGQYJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O4/c26-21(20-13-14-6-1-4-11-19(14)28-20)24-16-8-5-7-15(12-16)22-25-18-10-3-2-9-17(18)23(27)29-22/h1-13H,(H,24,26).
What are the key properties of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6496846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).