4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide

C13H18BrNO2 — CID 112706331

IUPAC4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-3-6-15(7-8-16)13(17)11-4-5-12(14)10(2)9-11/h4-5,9,16H,3,6-8H2,1-2H3
InChIKeyXVEXYNZFHPMECD-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide

4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide (PubChem CID 112706331) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
PubChem CID112706331
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO2/c1-3-6-15(7-8-16)13(17)11-4-5-12(14)10(2)9-11/h4-5,9,16H,3,6-8H2,1-2H3
InChIKeyXVEXYNZFHPMECD-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide 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,N-diethyl-3-methylbenzamide
CID 18960573
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide (CID 112706331) is 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide?
The InChIKey is XVEXYNZFHPMECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-6-15(7-8-16)13(17)11-4-5-12(14)10(2)9-11/h4-5,9,16H,3,6-8H2,1-2H3.
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide?
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide is sourced from PubChem (CID 112706331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).