3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide

C11H13BrClNO2 — CID 103849938

IUPAC3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-2-14(5-6-15)11(16)8-3-4-10(13)9(12)7-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyRAGRMEBRJPDLQZ-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.56
Rot. Bonds4

About 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide

3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (PubChem CID 103849938) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
PubChem CID103849938
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-2-14(5-6-15)11(16)8-3-4-10(13)9(12)7-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyRAGRMEBRJPDLQZ-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)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

3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide (CID 103849938) is 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is RAGRMEBRJPDLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-2-14(5-6-15)11(16)8-3-4-10(13)9(12)7-8/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide?
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103849938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).