N-(3,5-dibromobenzoyl)morpholine-4-carboxamide

C12H12Br2N2O3 — CID 2741464

IUPACN-(3,5-dibromobenzoyl)morpholine-4-carboxamide
SMILESO=C(NC(=O)N1CCOCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H12Br2N2O3/c13-9-5-8(6-10(14)7-9)11(17)15-12(18)16-1-3-19-4-2-16/h5-7H,1-4H2,(H,15,17,18)
InChIKeyUXWYCURWXWATKP-UHFFFAOYSA-N
MW392.05 g/mol
LogP2.39
Rot. Bonds1

About N-(3,5-dibromobenzoyl)morpholine-4-carboxamide

N-(3,5-dibromobenzoyl)morpholine-4-carboxamide (PubChem CID 2741464) has the molecular formula C12H12Br2N2O3 and a molecular weight of 392.05 g/mol. Its IUPAC name is N-(3,5-dibromobenzoyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromobenzoyl)morpholine-4-carboxamide
PubChem CID2741464
Molecular FormulaC12H12Br2N2O3
Molecular Weight392.05 g/mol
Exact Mass389.92
IUPAC NameN-(3,5-dibromobenzoyl)morpholine-4-carboxamide
SMILESO=C(NC(=O)N1CCOCC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H12Br2N2O3/c13-9-5-8(6-10(14)7-9)11(17)15-12(18)16-1-3-19-4-2-16/h5-7H,1-4H2,(H,15,17,18)
InChIKeyUXWYCURWXWATKP-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromobenzoyl)morpholine-4-carboxamide?
The IUPAC name of N-(3,5-dibromobenzoyl)morpholine-4-carboxamide (CID 2741464) is N-(3,5-dibromobenzoyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3,5-dibromobenzoyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3,5-dibromobenzoyl)morpholine-4-carboxamide is O=C(NC(=O)N1CCOCC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(3,5-dibromobenzoyl)morpholine-4-carboxamide?
The InChIKey is UXWYCURWXWATKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O3/c13-9-5-8(6-10(14)7-9)11(17)15-12(18)16-1-3-19-4-2-16/h5-7H,1-4H2,(H,15,17,18).
What are the key properties of N-(3,5-dibromobenzoyl)morpholine-4-carboxamide?
N-(3,5-dibromobenzoyl)morpholine-4-carboxamide has a molecular weight of 392.05 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromobenzoyl)morpholine-4-carboxamide is sourced from PubChem (CID 2741464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).