4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide

C25H33FN2O2 — CID 22076329

IUPAC4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H33FN2O2/c1-27(16-3-17-29)18-19-4-6-20(7-5-19)21-10-14-24(15-11-21)28(2)25(30)22-8-12-23(26)13-9-22/h4-9,12-13,21,24,29H,3,10-11,14-18H2,1-2H3
InChIKeyIUVWHDODCCSJIS-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.44
Rot. Bonds8

About 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide

4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide (PubChem CID 22076329) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
PubChem CID22076329
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Name4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H33FN2O2/c1-27(16-3-17-29)18-19-4-6-20(7-5-19)21-10-14-24(15-11-21)28(2)25(30)22-8-12-23(26)13-9-22/h4-9,12-13,21,24,29H,3,10-11,14-18H2,1-2H3
InChIKeyIUVWHDODCCSJIS-UHFFFAOYSA-N
XLogP4.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N,3-dimethylbenzamide
CID 22076314
4-chloro-N-cyclohexyl-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]benzamide
CID 22076287
4-chloro-N-[4-[4-[[3-cyanopropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 22076296
3-[[4-[4-[(4-chlorobenzoyl)-methylamino]cyclohexyl]phenyl]methyl-methylamino]propyl acetate
CID 54152727
4-chloro-N-[4-[4-[[[(2R)-2,3-dihydroxypropyl]-methylamino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 54300037
2-(3,4-dichlorophenyl)-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylacetamide
CID 22076302
N-benzyl-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-4-phenylbut-3-enamide
CID 54033723
4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N,3-dimethylbenzamide
CID 19381392
4-chloro-N-[4-[4-[1-[2-hydroxyethyl(methyl)amino]ethyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 57138521
N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
CID 19381473
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
CID 75454393

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide (CID 22076329) is 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide is CN(CCCO)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The InChIKey is IUVWHDODCCSJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-27(16-3-17-29)18-19-4-6-20(7-5-19)21-10-14-24(15-11-21)28(2)25(30)22-8-12-23(26)13-9-22/h4-9,12-13,21,24,29H,3,10-11,14-18H2,1-2H3.
What are the key properties of 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide?
4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide has a molecular weight of 412.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-[[3-hydroxypropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 22076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).