2-(3-bromophenyl)-1,3-dioxole-4-carboxamide

C10H8BrNO3 — CID 66681159

IUPAC2-(3-bromophenyl)-1,3-dioxole-4-carboxamide
SMILESNC(=O)C1=COC(c2cccc(Br)c2)O1
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)10-14-5-8(15-10)9(12)13/h1-5,10H,(H2,12,13)
InChIKeyPWAXRDRGDKQMPY-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide

2-(3-bromophenyl)-1,3-dioxole-4-carboxamide (PubChem CID 66681159) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,3-dioxole-4-carboxamide
PubChem CID66681159
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name2-(3-bromophenyl)-1,3-dioxole-4-carboxamide
SMILESNC(=O)C1=COC(c2cccc(Br)c2)O1
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)10-14-5-8(15-10)9(12)13/h1-5,10H,(H2,12,13)
InChIKeyPWAXRDRGDKQMPY-UHFFFAOYSA-N
XLogP1.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide (CID 66681159) is 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide is NC(=O)C1=COC(c2cccc(Br)c2)O1.
What is the InChIKey of 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide?
The InChIKey is PWAXRDRGDKQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)10-14-5-8(15-10)9(12)13/h1-5,10H,(H2,12,13).
What are the key properties of 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide?
2-(3-bromophenyl)-1,3-dioxole-4-carboxamide has a molecular weight of 270.08 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 66681159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).