4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide

C13H16BrNO2 — CID 113358588

IUPAC4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
SMILESCCC1(NC(=O)c2ccc(Br)c(O)c2)CCC1
InChIInChI=1S/C13H16BrNO2/c1-2-13(6-3-7-13)15-12(17)9-4-5-10(14)11(16)8-9/h4-5,8,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyUNKKDYREMQAYAD-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.22
Rot. Bonds3

About 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide

4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide (PubChem CID 113358588) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
PubChem CID113358588
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
SMILESCCC1(NC(=O)c2ccc(Br)c(O)c2)CCC1
InChIInChI=1S/C13H16BrNO2/c1-2-13(6-3-7-13)15-12(17)9-4-5-10(14)11(16)8-9/h4-5,8,16H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyUNKKDYREMQAYAD-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
4-bromo-N-[4-(bromomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 114171064
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
4-bromo-N-(1-ethylcyclopropyl)benzamide
CID 131025860
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
CID 113248304
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide (CID 113358588) is 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide is CCC1(NC(=O)c2ccc(Br)c(O)c2)CCC1.
What is the InChIKey of 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide?
The InChIKey is UNKKDYREMQAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-2-13(6-3-7-13)15-12(17)9-4-5-10(14)11(16)8-9/h4-5,8,16H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide?
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide has a molecular weight of 298.18 g/mol, XLogP of 3.22, 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-ethylcyclobutyl)-3-hydroxybenzamide is sourced from PubChem (CID 113358588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).