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

C10H8BrNO3 — CID 173096573

IUPAC4-(2-bromophenyl)-1,3-dioxole-2-carboxamide
SMILESNC(=O)C1OC=C(c2ccccc2Br)O1
InChIInChI=1S/C10H8BrNO3/c11-7-4-2-1-3-6(7)8-5-14-10(15-8)9(12)13/h1-5,10H,(H2,12,13)
InChIKeyONGHPCOUONGEES-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.61
Rot. Bonds2

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

4-(2-bromophenyl)-1,3-dioxole-2-carboxamide (PubChem CID 173096573) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-1,3-dioxole-2-carboxamide
PubChem CID173096573
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name4-(2-bromophenyl)-1,3-dioxole-2-carboxamide
SMILESNC(=O)C1OC=C(c2ccccc2Br)O1
InChIInChI=1S/C10H8BrNO3/c11-7-4-2-1-3-6(7)8-5-14-10(15-8)9(12)13/h1-5,10H,(H2,12,13)
InChIKeyONGHPCOUONGEES-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide?
The IUPAC name of 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide (CID 173096573) is 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide.
What is the SMILES notation for 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide?
The canonical SMILES for 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide is NC(=O)C1OC=C(c2ccccc2Br)O1.
What is the InChIKey of 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide?
The InChIKey is ONGHPCOUONGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-7-4-2-1-3-6(7)8-5-14-10(15-8)9(12)13/h1-5,10H,(H2,12,13).
What are the key properties of 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide?
4-(2-bromophenyl)-1,3-dioxole-2-carboxamide has a molecular weight of 270.08 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1,3-dioxole-2-carboxamide is sourced from PubChem (CID 173096573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).