5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide

C11H13BrClNO2 — CID 175922487

IUPAC5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
SMILESCc1c(Cl)c(C(N)=O)cc(Br)c1CCCO
InChIInChI=1S/C11H13BrClNO2/c1-6-7(3-2-4-15)9(12)5-8(10(6)13)11(14)16/h5,15H,2-4H2,1H3,(H2,14,16)
InChIKeyVPTZWCYMYODLRX-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.43
Rot. Bonds4

About 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide

5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide (PubChem CID 175922487) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
PubChem CID175922487
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide
SMILESCc1c(Cl)c(C(N)=O)cc(Br)c1CCCO
InChIInChI=1S/C11H13BrClNO2/c1-6-7(3-2-4-15)9(12)5-8(10(6)13)11(14)16/h5,15H,2-4H2,1H3,(H2,14,16)
InChIKeyVPTZWCYMYODLRX-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-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

3-bromo-2-chloro-5-methylbenzamide
CID 131538692
3-bromo-2,5-dichlorobenzamide
CID 131599127
2-chloro-4-(3-hydroxypropyl)-3,5-dimethylphenol
CID 117305989
3-(3,6-dichloro-5-methylpyridazin-4-yl)propan-1-ol
CID 155593827
4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
CID 68604884
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
CID 172819441
3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
CID 117406540
5-bromo-4-chloro-2-fluoro-3-methylbenzoic acid
CID 53430759
2-amino-5-bromo-3-chloro-4-methylbenzoic acid
CID 122552787
2,3-dichloro-4-ethylbenzamide
CID 67592769
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide?
The IUPAC name of 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide (CID 175922487) is 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide is Cc1c(Cl)c(C(N)=O)cc(Br)c1CCCO.
What is the InChIKey of 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide?
The InChIKey is VPTZWCYMYODLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-6-7(3-2-4-15)9(12)5-8(10(6)13)11(14)16/h5,15H,2-4H2,1H3,(H2,14,16).
What are the key properties of 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide?
5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(3-hydroxypropyl)-3-methylbenzamide is sourced from PubChem (CID 175922487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).