4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide

C22H35FN2O2 — CID 70021312

IUPAC4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide
SMILESCNCCCCCCOC1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C22H35FN2O2/c1-17-16-18(8-13-21(17)23)22(26)25(3)19-9-11-20(12-10-19)27-15-7-5-4-6-14-24-2/h8,13,16,19-20,24H,4-7,9-12,14-15H2,1-3H3
InChIKeyGXJCEVWXQHWUJG-UHFFFAOYSA-N
MW378.53 g/mol
LogP4.31
Rot. Bonds10

About 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide

4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide (PubChem CID 70021312) has the molecular formula C22H35FN2O2 and a molecular weight of 378.53 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide
PubChem CID70021312
Molecular FormulaC22H35FN2O2
Molecular Weight378.53 g/mol
Exact Mass378.27
IUPAC Name4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide
SMILESCNCCCCCCOC1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C22H35FN2O2/c1-17-16-18(8-13-21(17)23)22(26)25(3)19-9-11-20(12-10-19)27-15-7-5-4-6-14-24-2/h8,13,16,19-20,24H,4-7,9-12,14-15H2,1-3H3
InChIKeyGXJCEVWXQHWUJG-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide (CID 70021312) is 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide is CNCCCCCCOC1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide?
The InChIKey is GXJCEVWXQHWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN2O2/c1-17-16-18(8-13-21(17)23)22(26)25(3)19-9-11-20(12-10-19)27-15-7-5-4-6-14-24-2/h8,13,16,19-20,24H,4-7,9-12,14-15H2,1-3H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide?
4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide has a molecular weight of 378.53 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-[4-[6-(methylamino)hexoxy]cyclohexyl]benzamide is sourced from PubChem (CID 70021312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).