3,5-dibromo-N-(1-ethylcyclobutyl)benzamide

C13H15Br2NO — CID 107980571

IUPAC3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
SMILESCCC1(NC(=O)c2cc(Br)cc(Br)c2)CCC1
InChIInChI=1S/C13H15Br2NO/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyPAAGJXRAOREEAA-UHFFFAOYSA-N
MW361.08 g/mol
LogP4.27
Rot. Bonds3

About 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide

3,5-dibromo-N-(1-ethylcyclobutyl)benzamide (PubChem CID 107980571) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
PubChem CID107980571
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
SMILESCCC1(NC(=O)c2cc(Br)cc(Br)c2)CCC1
InChIInChI=1S/C13H15Br2NO/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyPAAGJXRAOREEAA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
CID 113488542
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide (CID 107980571) is 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide is CCC1(NC(=O)c2cc(Br)cc(Br)c2)CCC1.
What is the InChIKey of 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide?
The InChIKey is PAAGJXRAOREEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide?
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide has a molecular weight of 361.08 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(1-ethylcyclobutyl)benzamide is sourced from PubChem (CID 107980571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).