2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide

C11H11Br2NO2 — CID 107939661

IUPAC2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
SMILESO=C(NC1CC(O)C1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO2/c12-6-1-2-9(10(13)3-6)11(16)14-7-4-8(15)5-7/h1-3,7-8,15H,4-5H2,(H,14,16)
InChIKeyVOYUCSAOLOLTHO-UHFFFAOYSA-N
MW349.02 g/mol
LogP2.46
Rot. Bonds2

About 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide

2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide (PubChem CID 107939661) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
PubChem CID107939661
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
SMILESO=C(NC1CC(O)C1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2NO2/c12-6-1-2-9(10(13)3-6)11(16)14-7-4-8(15)5-7/h1-3,7-8,15H,4-5H2,(H,14,16)
InChIKeyVOYUCSAOLOLTHO-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide (CID 107939661) is 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide is O=C(NC1CC(O)C1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide?
The InChIKey is VOYUCSAOLOLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c12-6-1-2-9(10(13)3-6)11(16)14-7-4-8(15)5-7/h1-3,7-8,15H,4-5H2,(H,14,16).
What are the key properties of 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide?
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide has a molecular weight of 349.02 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide is sourced from PubChem (CID 107939661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).