N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide

C24H31FN2O2 — CID 100674265

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-27(2)17-6-18-29-22-13-11-21(12-14-22)26-23(28)24(15-4-3-5-16-24)19-7-9-20(25)10-8-19/h7-14H,3-6,15-18H2,1-2H3,(H,26,28)
InChIKeyBEIFWSSZORMLHH-UHFFFAOYSA-N
MW398.52 g/mol
LogP5.00
Rot. Bonds8

About N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 100674265) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID100674265
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1
InChIInChI=1S/C24H31FN2O2/c1-27(2)17-6-18-29-22-13-11-21(12-14-22)26-23(28)24(15-4-3-5-16-24)19-7-9-20(25)10-8-19/h7-14H,3-6,15-18H2,1-2H3,(H,26,28)
InChIKeyBEIFWSSZORMLHH-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide 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

N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729763
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide (CID 100674265) is N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide is CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is BEIFWSSZORMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-27(2)17-6-18-29-22-13-11-21(12-14-22)26-23(28)24(15-4-3-5-16-24)19-7-9-20(25)10-8-19/h7-14H,3-6,15-18H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100674265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).