N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide

C14H17BrFNO — CID 113275063

IUPACN-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2Br)cc1F
InChIInChI=1S/C14H17BrFNO/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18)
InChIKeyHPIJSRFNEJJMEF-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.57
Rot. Bonds2

About N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide

N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide (PubChem CID 113275063) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
PubChem CID113275063
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2Br)cc1F
InChIInChI=1S/C14H17BrFNO/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18)
InChIKeyHPIJSRFNEJJMEF-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)-3-fluoro-4-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-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
N-(2-bromocyclopentyl)-2,5-dimethylbenzamide
CID 80662221

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide (CID 113275063) is N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2Br)cc1F.
What is the InChIKey of N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide?
The InChIKey is HPIJSRFNEJJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-9-6-7-10(8-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h6-8,11,13H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide?
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide has a molecular weight of 314.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 113275063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).