4-(3-bromophenyl)oxane-4-carboxamide

C12H14BrNO2 — CID 15547185

IUPAC4-(3-bromophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H14BrNO2/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H2,14,15)
InChIKeyZBBPOKGRGPCSHF-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-bromophenyl)oxane-4-carboxamide

4-(3-bromophenyl)oxane-4-carboxamide (PubChem CID 15547185) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)oxane-4-carboxamide
PubChem CID15547185
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-(3-bromophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)CCOCC1
InChIInChI=1S/C12H14BrNO2/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H2,14,15)
InChIKeyZBBPOKGRGPCSHF-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)oxane-4-carboxamide?
The IUPAC name of 4-(3-bromophenyl)oxane-4-carboxamide (CID 15547185) is 4-(3-bromophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)oxane-4-carboxamide is NC(=O)C1(c2cccc(Br)c2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)oxane-4-carboxamide?
The InChIKey is ZBBPOKGRGPCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H2,14,15).
What are the key properties of 4-(3-bromophenyl)oxane-4-carboxamide?
4-(3-bromophenyl)oxane-4-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)oxane-4-carboxamide is sourced from PubChem (CID 15547185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).