N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C23H28FNO2 — CID 100664950

IUPACN-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C
InChIInChI=1S/C23H28FNO2/c1-3-4-15-27-21-12-11-20(16-17(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,16H,3-6,13-15H2,1-2H3,(H,25,26)
InChIKeyOOWJFGVTBNNHNC-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.76
Rot. Bonds7

About N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100664950) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100664950
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC NameN-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C
InChIInChI=1S/C23H28FNO2/c1-3-4-15-27-21-12-11-20(16-17(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,16H,3-6,13-15H2,1-2H3,(H,25,26)
InChIKeyOOWJFGVTBNNHNC-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
N-(4-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 100664950) is N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C.
What is the InChIKey of N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is OOWJFGVTBNNHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-3-4-15-27-21-12-11-20(16-17(21)2)25-22(26)23(13-5-6-14-23)18-7-9-19(24)10-8-18/h7-12,16H,3-6,13-15H2,1-2H3,(H,25,26).
What are the key properties of N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100664950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).