4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide

C12H14BrNO2 — CID 111445424

IUPAC4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2/c13-10-4-2-9(3-5-10)11(15)14-8-12(16)6-1-7-12/h2-5,16H,1,6-8H2,(H,14,15)
InChIKeyYDMQFELESQCORM-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.09
Rot. Bonds3

About 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide

4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445424) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445424
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO2/c13-10-4-2-9(3-5-10)11(15)14-8-12(16)6-1-7-12/h2-5,16H,1,6-8H2,(H,14,15)
InChIKeyYDMQFELESQCORM-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445424) is 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is YDMQFELESQCORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-4-2-9(3-5-10)11(15)14-8-12(16)6-1-7-12/h2-5,16H,1,6-8H2,(H,14,15).
What are the key properties of 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide?
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 284.15 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).