N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

C23H25FN2O2 — CID 100720957

IUPACN-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N
InChIInChI=1S/C23H25FN2O2/c1-2-3-14-28-21-11-10-18(15-17(21)16-25)26-22(27)23(12-6-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,26,27)
InChIKeyIDSNGXHKYGGSNQ-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.33
Rot. Bonds7

About N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100720957) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100720957
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N
InChIInChI=1S/C23H25FN2O2/c1-2-3-14-28-21-11-10-18(15-17(21)16-25)26-22(27)23(12-6-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,26,27)
InChIKeyIDSNGXHKYGGSNQ-UHFFFAOYSA-N
XLogP5.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-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-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
N-(4-butoxy-3-cyanophenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748445
4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
CID 100749425
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746032

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (CID 100720957) is N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N.
What is the InChIKey of N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is IDSNGXHKYGGSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-2-3-14-28-21-11-10-18(15-17(21)16-25)26-22(27)23(12-6-7-13-23)19-8-4-5-9-20(19)24/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,26,27).
What are the key properties of N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).