5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide

C14H18BrNO3 — CID 103747554

IUPAC5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H18BrNO3/c1-16(6-7-19-9-10-2-3-10)14(18)12-8-11(15)4-5-13(12)17/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyAFGDJADVVWXHRG-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.65
Rot. Bonds6

About 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide (PubChem CID 103747554) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
PubChem CID103747554
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H18BrNO3/c1-16(6-7-19-9-10-2-3-10)14(18)12-8-11(15)4-5-13(12)17/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyAFGDJADVVWXHRG-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide 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

2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 103883141
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 75458341
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide (CID 103747554) is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide is CN(CCOCC1CC1)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is AFGDJADVVWXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-16(6-7-19-9-10-2-3-10)14(18)12-8-11(15)4-5-13(12)17/h4-5,8,10,17H,2-3,6-7,9H2,1H3.
What are the key properties of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide?
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 103747554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).