4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide

C11H12BrNO3 — CID 115883921

IUPAC4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1ccc(Br)cc1O
InChIInChI=1S/C11H12BrNO3/c12-7-1-2-8(9(15)5-7)10(16)13-11(6-14)3-4-11/h1-2,5,14-15H,3-4,6H2,(H,13,16)
InChIKeyDLZYQYWSFRHXNP-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.41
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide

4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide (PubChem CID 115883921) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
PubChem CID115883921
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
SMILESO=C(NC1(CO)CC1)c1ccc(Br)cc1O
InChIInChI=1S/C11H12BrNO3/c12-7-1-2-8(9(15)5-7)10(16)13-11(6-14)3-4-11/h1-2,5,14-15H,3-4,6H2,(H,13,16)
InChIKeyDLZYQYWSFRHXNP-UHFFFAOYSA-N
XLogP1.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
2,4-dihydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 113368387
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
5-bromo-N-[1-(bromomethyl)cyclopropyl]-2-hydroxybenzamide
CID 107730507
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide (CID 115883921) is 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide is O=C(NC1(CO)CC1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
The InChIKey is DLZYQYWSFRHXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-7-1-2-8(9(15)5-7)10(16)13-11(6-14)3-4-11/h1-2,5,14-15H,3-4,6H2,(H,13,16).
What are the key properties of 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide?
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide has a molecular weight of 286.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide is sourced from PubChem (CID 115883921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).