4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide

C25H33FN2O2 — CID 19381362

IUPAC4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCC(c2ccc(CNCCCCO)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c1-28(25(30)22-8-12-23(26)13-9-22)24-14-10-21(11-15-24)20-6-4-19(5-7-20)18-27-16-2-3-17-29/h4-9,12-13,21,24,27,29H,2-3,10-11,14-18H2,1H3
InChIKeyPMPBLVIRSLFJFB-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.49
Rot. Bonds9

About 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide

4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide (PubChem CID 19381362) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
PubChem CID19381362
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Name4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCC(c2ccc(CNCCCCO)cc2)CC1
InChIInChI=1S/C25H33FN2O2/c1-28(25(30)22-8-12-23(26)13-9-22)24-14-10-21(11-15-24)20-6-4-19(5-7-20)18-27-16-2-3-17-29/h4-9,12-13,21,24,27,29H,2-3,10-11,14-18H2,1H3
InChIKeyPMPBLVIRSLFJFB-UHFFFAOYSA-N
XLogP4.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide (CID 19381362) is 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)C1CCC(c2ccc(CNCCCCO)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The InChIKey is PMPBLVIRSLFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-28(25(30)22-8-12-23(26)13-9-22)24-14-10-21(11-15-24)20-6-4-19(5-7-20)18-27-16-2-3-17-29/h4-9,12-13,21,24,27,29H,2-3,10-11,14-18H2,1H3.
What are the key properties of 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide has a molecular weight of 412.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 19381362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).