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

C22H15BrN2O3 — CID 17359646

IUPAC2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H15BrN2O3/c23-16-10-8-14(9-11-16)12-20(26)24-17-5-3-4-15(13-17)21-25-19-7-2-1-6-18(19)22(27)28-21/h1-11,13H,12H2,(H,24,26)
InChIKeyBNLSOBXINZMLHK-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.80
Rot. Bonds4

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

2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 17359646) has the molecular formula C22H15BrN2O3 and a molecular weight of 435.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID17359646
Molecular FormulaC22H15BrN2O3
Molecular Weight435.28 g/mol
Exact Mass434.03
IUPAC Name2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H15BrN2O3/c23-16-10-8-14(9-11-16)12-20(26)24-17-5-3-4-15(13-17)21-25-19-7-2-1-6-18(19)22(27)28-21/h1-11,13H,12H2,(H,24,26)
InChIKeyBNLSOBXINZMLHK-UHFFFAOYSA-N
XLogP4.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
2,4-dichloro-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17296891
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
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
(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-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 17359646) is 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is BNLSOBXINZMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O3/c23-16-10-8-14(9-11-16)12-20(26)24-17-5-3-4-15(13-17)21-25-19-7-2-1-6-18(19)22(27)28-21/h1-11,13H,12H2,(H,24,26).
What are the key properties of 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 435.28 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 17359646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).