4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide

C12H15BrN2O2 — CID 119013862

IUPAC4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
SMILESCCNC(=O)c1ccc(Br)cc1C(=O)NCC
InChIInChI=1S/C12H15BrN2O2/c1-3-14-11(16)9-6-5-8(13)7-10(9)12(17)15-4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySUWXOUBWWBBNRJ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.95
Rot. Bonds4

About 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide

4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide (PubChem CID 119013862) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
PubChem CID119013862
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
SMILESCCNC(=O)c1ccc(Br)cc1C(=O)NCC
InChIInChI=1S/C12H15BrN2O2/c1-3-14-11(16)9-6-5-8(13)7-10(9)12(17)15-4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeySUWXOUBWWBBNRJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
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5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide?
The IUPAC name of 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide (CID 119013862) is 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide is CCNC(=O)c1ccc(Br)cc1C(=O)NCC.
What is the InChIKey of 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide?
The InChIKey is SUWXOUBWWBBNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-3-14-11(16)9-6-5-8(13)7-10(9)12(17)15-4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide?
4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 119013862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).