2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide

C18H13BrN2O3 — CID 167804724

IUPAC2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide
SMILESCc1nocc1NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O3/c1-11-16(10-24-21-11)20-18(23)15-5-3-2-4-14(15)17(22)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,20,23)
InChIKeyJHTDZGBFEXWBPV-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.23
Rot. Bonds4

About 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide

2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide (PubChem CID 167804724) has the molecular formula C18H13BrN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide
PubChem CID167804724
Molecular FormulaC18H13BrN2O3
Molecular Weight385.22 g/mol
Exact Mass384.01
IUPAC Name2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide
SMILESCc1nocc1NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2O3/c1-11-16(10-24-21-11)20-18(23)15-5-3-2-4-14(15)17(22)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,20,23)
InChIKeyJHTDZGBFEXWBPV-UHFFFAOYSA-N
XLogP4.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide (CID 167804724) is 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide is Cc1nocc1NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide?
The InChIKey is JHTDZGBFEXWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O3/c1-11-16(10-24-21-11)20-18(23)15-5-3-2-4-14(15)17(22)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,20,23).
What are the key properties of 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide?
2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide has a molecular weight of 385.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-(3-methyl-1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 167804724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).