5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide

C16H11BrN2O4 — CID 9325662

IUPAC5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11BrN2O4/c1-23-13-5-2-8(17)6-12(13)16(22)18-9-3-4-10-11(7-9)15(21)19-14(10)20/h2-7H,1H3,(H,18,22)(H,19,20,21)
InChIKeyKUTYXSMFYXGUML-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide

5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide (PubChem CID 9325662) has the molecular formula C16H11BrN2O4 and a molecular weight of 375.18 g/mol. Its IUPAC name is 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
PubChem CID9325662
Molecular FormulaC16H11BrN2O4
Molecular Weight375.18 g/mol
Exact Mass373.99
IUPAC Name5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11BrN2O4/c1-23-13-5-2-8(17)6-12(13)16(22)18-9-3-4-10-11(7-9)15(21)19-14(10)20/h2-7H,1H3,(H,18,22)(H,19,20,21)
InChIKeyKUTYXSMFYXGUML-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-2-methoxybenzamide
CID 2994686
5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 110607972
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide (CID 9325662) is 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
The InChIKey is KUTYXSMFYXGUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O4/c1-23-13-5-2-8(17)6-12(13)16(22)18-9-3-4-10-11(7-9)15(21)19-14(10)20/h2-7H,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide?
5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide has a molecular weight of 375.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 9325662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).