4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide

C12H14BrNO3 — CID 103830618

IUPAC4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H14BrNO3/c13-9-3-2-8(6-10(9)15)11(16)14-7-12(17)4-1-5-12/h2-3,6,15,17H,1,4-5,7H2,(H,14,16)
InChIKeyCGDHZFCQGBGGLM-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.80
Rot. Bonds3

About 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide

4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 103830618) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID103830618
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Br)c(O)c1
InChIInChI=1S/C12H14BrNO3/c13-9-3-2-8(6-10(9)15)11(16)14-7-12(17)4-1-5-12/h2-3,6,15,17H,1,4-5,7H2,(H,14,16)
InChIKeyCGDHZFCQGBGGLM-UHFFFAOYSA-N
XLogP1.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103873707
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 103830618) is 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is CGDHZFCQGBGGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-9-3-2-8(6-10(9)15)11(16)14-7-12(17)4-1-5-12/h2-3,6,15,17H,1,4-5,7H2,(H,14,16).
What are the key properties of 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 300.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 103830618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).