N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C20H19FN2O2 — CID 100721529

IUPACN-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C20H19FN2O2/c1-25-17-8-9-18(14(12-17)13-22)23-19(24)20(10-2-3-11-20)15-4-6-16(21)7-5-15/h4-9,12H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyYUPOSZPJSVTNMC-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.16
Rot. Bonds4

About N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100721529) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100721529
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1
InChIInChI=1S/C20H19FN2O2/c1-25-17-8-9-18(14(12-17)13-22)23-19(24)20(10-2-3-11-20)15-4-6-16(21)7-5-15/h4-9,12H,2-3,10-11H2,1H3,(H,23,24)
InChIKeyYUPOSZPJSVTNMC-UHFFFAOYSA-N
XLogP4.16
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
[3-cyano-4-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl] acetate
CID 100719496
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 82683758
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
N-(2-cyano-4-methoxyphenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748457
N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
N-(2-cyano-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100746020
trans-(1R,3S)-N-(2-cyano-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757283

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 100721529) is N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1.
What is the InChIKey of N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is YUPOSZPJSVTNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-25-17-8-9-18(14(12-17)13-22)23-19(24)20(10-2-3-11-20)15-4-6-16(21)7-5-15/h4-9,12H,2-3,10-11H2,1H3,(H,23,24).
What are the key properties of N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100721529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).