N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide

C15H20BrNO2 — CID 113275096

IUPACN-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1CCCCC1Br
InChIInChI=1S/C15H20BrNO2/c16-13-7-3-1-6-12(13)10-17-15(19)9-11-5-2-4-8-14(11)18/h2,4-5,8,12-13,18H,1,3,6-7,9-10H2,(H,17,19)
InChIKeyQJMPXEVWNBMKHS-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide

N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 113275096) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID113275096
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)NCC1CCCCC1Br
InChIInChI=1S/C15H20BrNO2/c16-13-7-3-1-6-12(13)10-17-15(19)9-11-5-2-4-8-14(11)18/h2,4-5,8,12-13,18H,1,3,6-7,9-10H2,(H,17,19)
InChIKeyQJMPXEVWNBMKHS-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide 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

N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 115626238
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
CID 114312339

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide (CID 113275096) is N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is QJMPXEVWNBMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-7-3-1-6-12(13)10-17-15(19)9-11-5-2-4-8-14(11)18/h2,4-5,8,12-13,18H,1,3,6-7,9-10H2,(H,17,19).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide?
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 326.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 113275096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).