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

C23H24Cl2N2O2 — CID 100743841

IUPACN-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N
InChIInChI=1S/C23H24Cl2N2O2/c1-2-3-12-29-21-9-7-18(13-16(21)15-26)27-22(28)23(10-4-5-11-23)19-8-6-17(24)14-20(19)25/h6-9,13-14H,2-5,10-12H2,1H3,(H,27,28)
InChIKeyFANAUADGKBTCMA-UHFFFAOYSA-N
MW431.36 g/mol
LogP6.49
Rot. Bonds7

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

N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide (PubChem CID 100743841) has the molecular formula C23H24Cl2N2O2 and a molecular weight of 431.36 g/mol. Its IUPAC name is N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
PubChem CID100743841
Molecular FormulaC23H24Cl2N2O2
Molecular Weight431.36 g/mol
Exact Mass430.12
IUPAC NameN-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N
InChIInChI=1S/C23H24Cl2N2O2/c1-2-3-12-29-21-9-7-18(13-16(21)15-26)27-22(28)23(10-4-5-11-23)19-8-6-17(24)14-20(19)25/h6-9,13-14H,2-5,10-12H2,1H3,(H,27,28)
InChIKeyFANAUADGKBTCMA-UHFFFAOYSA-N
XLogP6.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 56.49
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-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
ethyl 2-butoxy-5-[[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]amino]benzoate
CID 100743761
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
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
4-(2-chlorophenyl)-N-(3-cyano-4-ethoxyphenyl)oxane-4-carboxamide
CID 100749425
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide (CID 100743841) is N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N.
What is the InChIKey of N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is FANAUADGKBTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2/c1-2-3-12-29-21-9-7-18(13-16(21)15-26)27-22(28)23(10-4-5-11-23)19-8-6-17(24)14-20(19)25/h6-9,13-14H,2-5,10-12H2,1H3,(H,27,28).
What are the key properties of N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 6.49, 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-(2,4-dichlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100743841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).