N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide

C18H18F2N4O2 — CID 166286793

IUPACN-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1C(F)(F)C(=O)Nc1ccc(OC2CCCC2)c(C#N)c1
InChIInChI=1S/C18H18F2N4O2/c1-24-9-8-22-16(24)18(19,20)17(25)23-13-6-7-15(12(10-13)11-21)26-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,23,25)
InChIKeyXNUURIOZICFETL-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.34
Rot. Bonds5

About N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide

N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 166286793) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide
PubChem CID166286793
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC NameN-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide
SMILESCn1ccnc1C(F)(F)C(=O)Nc1ccc(OC2CCCC2)c(C#N)c1
InChIInChI=1S/C18H18F2N4O2/c1-24-9-8-22-16(24)18(19,20)17(25)23-13-6-7-15(12(10-13)11-21)26-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,23,25)
InChIKeyXNUURIOZICFETL-UHFFFAOYSA-N
XLogP3.34
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 141478664
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-[4-[4-amino-7-cyano-3-(4-cyclohexyloxy-3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-2-yl]-3-fluorophenyl]-2-methylprop-2-enamide
CID 171853171
(2S)-N-[3-cyano-4-(trifluoromethoxy)phenyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 124886800
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-phenylpropanamide
CID 120593524
1-(3-cyano-4-cyclohexyloxyphenyl)imidazole-4-carboxylic acid
CID 162656866
(2S)-N-[3-cyano-4-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 125141428
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide (CID 166286793) is N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide is Cn1ccnc1C(F)(F)C(=O)Nc1ccc(OC2CCCC2)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is XNUURIOZICFETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-24-9-8-22-16(24)18(19,20)17(25)23-13-6-7-15(12(10-13)11-21)26-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,23,25).
What are the key properties of N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide?
N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 360.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-cyclopentyloxyphenyl)-2,2-difluoro-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 166286793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).