3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide

C15H21FN2O2 — CID 102633072

IUPAC3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide
SMILESCNC1CCCCC1OCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-18-13-4-2-3-5-14(13)20-9-11-7-6-10(15(17)19)8-12(11)16/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19)
InChIKeyQMEBQLJZODIEPK-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.97
Rot. Bonds5

About 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide

3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide (PubChem CID 102633072) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide
PubChem CID102633072
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide
SMILESCNC1CCCCC1OCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-18-13-4-2-3-5-14(13)20-9-11-7-6-10(15(17)19)8-12(11)16/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19)
InChIKeyQMEBQLJZODIEPK-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]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

4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]urea
CID 168532079
3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
CID 64768102
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-[2-(ethylamino)ethoxymethyl]-3-fluorobenzamide
CID 62335925
N-(2-fluorophenyl)-2-[2-(methylamino)cyclohexyl]oxyacetamide
CID 102633371
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
CID 106484635
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518
[2-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 102877277
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide?
The IUPAC name of 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide (CID 102633072) is 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide is CNC1CCCCC1OCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide?
The InChIKey is QMEBQLJZODIEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18-13-4-2-3-5-14(13)20-9-11-7-6-10(15(17)19)8-12(11)16/h6-8,13-14,18H,2-5,9H2,1H3,(H2,17,19).
What are the key properties of 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide?
3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide has a molecular weight of 280.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide is sourced from PubChem (CID 102633072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).