N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide

C11H9Br2NO2 — CID 154866180

IUPACN-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C11H9Br2NO2/c12-7-3-8(13)5-9(4-7)14-11(16)6-1-10(15)2-6/h3-6H,1-2H2,(H,14,16)
InChIKeyDVLGCXBYUDPHFN-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.13
Rot. Bonds2

About N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide

N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide (PubChem CID 154866180) has the molecular formula C11H9Br2NO2 and a molecular weight of 347.01 g/mol. Its IUPAC name is N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide
PubChem CID154866180
Molecular FormulaC11H9Br2NO2
Molecular Weight347.01 g/mol
Exact Mass344.90
IUPAC NameN-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C11H9Br2NO2/c12-7-3-8(13)5-9(4-7)14-11(16)6-1-10(15)2-6/h3-6H,1-2H2,(H,14,16)
InChIKeyDVLGCXBYUDPHFN-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide (CID 154866180) is N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide is O=C1CC(C(=O)Nc2cc(Br)cc(Br)c2)C1.
What is the InChIKey of N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide?
The InChIKey is DVLGCXBYUDPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2/c12-7-3-8(13)5-9(4-7)14-11(16)6-1-10(15)2-6/h3-6H,1-2H2,(H,14,16).
What are the key properties of N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide?
N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide has a molecular weight of 347.01 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromophenyl)-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 154866180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).