3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

C17H15BrN2O4 — CID 110630325

IUPAC3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2OCC(=O)N3C)cc1Br
InChIInChI=1S/C17H15BrN2O4/c1-20-13-5-3-4-12(16(13)24-9-15(20)21)19-17(22)10-6-7-14(23-2)11(18)8-10/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyNXNUDYKKWREIED-UHFFFAOYSA-N
MW391.22 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (PubChem CID 110630325) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
PubChem CID110630325
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2OCC(=O)N3C)cc1Br
InChIInChI=1S/C17H15BrN2O4/c1-20-13-5-3-4-12(16(13)24-9-15(20)21)19-17(22)10-6-7-14(23-2)11(18)8-10/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyNXNUDYKKWREIED-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-(2,1,3-benzoselenadiazol-4-yl)-3-bromo-4-methoxybenzamide
CID 60660920
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1311513

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (CID 110630325) is 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is COc1ccc(C(=O)Nc2cccc3c2OCC(=O)N3C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The InChIKey is NXNUDYKKWREIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-20-13-5-3-4-12(16(13)24-9-15(20)21)19-17(22)10-6-7-14(23-2)11(18)8-10/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide has a molecular weight of 391.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is sourced from PubChem (CID 110630325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).