N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

C26H35FN2O2 — CID 100673292

IUPACN-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1
InChIInChI=1S/C26H35FN2O2/c1-3-29(4-2)19-10-20-31-22-15-13-21(14-16-22)28-25(30)26(17-8-5-9-18-26)23-11-6-7-12-24(23)27/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3,(H,28,30)
InChIKeyRYBXORSYDVINJJ-UHFFFAOYSA-N
MW426.58 g/mol
LogP5.78
Rot. Bonds10

About N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 100673292) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID100673292
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1
InChIInChI=1S/C26H35FN2O2/c1-3-29(4-2)19-10-20-31-22-15-13-21(14-16-22)28-25(30)26(17-8-5-9-18-26)23-11-6-7-12-24(23)27/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3,(H,28,30)
InChIKeyRYBXORSYDVINJJ-UHFFFAOYSA-N
XLogP5.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 55.78
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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Related Compounds

N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388
N-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673240
1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100663159
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
4-(2,4-dichlorophenyl)-N-[4-[3-(diethylamino)propoxy]phenyl]oxane-4-carboxamide
CID 100686480
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (CID 100673292) is N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is RYBXORSYDVINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2/c1-3-29(4-2)19-10-20-31-22-15-13-21(14-16-22)28-25(30)26(17-8-5-9-18-26)23-11-6-7-12-24(23)27/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100673292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).