4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

C14H18BrNO2 — CID 103873707

IUPAC4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2ccc(Br)c(O)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-9(2)14(5-6-14)8-16-13(18)10-3-4-11(15)12(17)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyWYIYMZCKSHDIHE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.32
Rot. Bonds4

About 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide

4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (PubChem CID 103873707) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
PubChem CID103873707
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
SMILESCC(C)C1(CNC(=O)c2ccc(Br)c(O)c2)CC1
InChIInChI=1S/C14H18BrNO2/c1-9(2)14(5-6-14)8-16-13(18)10-3-4-11(15)12(17)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyWYIYMZCKSHDIHE-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103743847
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 113252964
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide (CID 103873707) is 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is CC(C)C1(CNC(=O)c2ccc(Br)c(O)c2)CC1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
The InChIKey is WYIYMZCKSHDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9(2)14(5-6-14)8-16-13(18)10-3-4-11(15)12(17)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103873707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).