3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide

C12H16BrNO2 — CID 104852776

IUPAC3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16BrNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeySBYDMQXTERAUDR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.26
Rot. Bonds4

About 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide

3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide (PubChem CID 104852776) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
PubChem CID104852776
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16BrNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeySBYDMQXTERAUDR-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3-hydroxybutyl)-5-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

4-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832772
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
3-bromo-5-methyl-N-[(3S)-3-[(S)-methylsulfinyl]butyl]benzamide
CID 99626128
3-bromo-5-methyl-N-[(3S)-3-[(R)-methylsulfinyl]butyl]benzamide
CID 99626131
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752
3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide (CID 104852776) is 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCCC(C)O)c1.
What is the InChIKey of 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide?
The InChIKey is SBYDMQXTERAUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide?
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide is sourced from PubChem (CID 104852776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).