N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide

C17H20F3N3O — CID 133360912

IUPACN-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCCNC(=O)CC1CCCC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)14-5-6-15(13(10-14)11-21)22-7-8-23-16(24)9-12-3-1-2-4-12/h5-6,10,12,22H,1-4,7-9H2,(H,23,24)
InChIKeyJNVQPFFQHISMHG-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.69
Rot. Bonds6

About N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide

N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide (PubChem CID 133360912) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
PubChem CID133360912
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NCCNC(=O)CC1CCCC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)14-5-6-15(13(10-14)11-21)22-7-8-23-16(24)9-12-3-1-2-4-12/h5-6,10,12,22H,1-4,7-9H2,(H,23,24)
InChIKeyJNVQPFFQHISMHG-UHFFFAOYSA-N
XLogP3.69
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopropylamino)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 55100935
3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
2-[2-cyano-4-(trifluoromethyl)anilino]-N-cyclopropylacetamide
CID 43568515
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
CID 115911184
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
2-[3-(oxolan-2-yl)propylamino]-5-(trifluoromethyl)benzonitrile
CID 115911107
2-(butylamino)-5-(trifluoromethyl)benzonitrile
CID 43153532
2-(3-cyanopropylamino)-5-(trifluoromethyl)benzonitrile
CID 112556126
trans-(1S,2S)-2-[2-cyano-4-(trifluoromethyl)anilino]cyclopentane-1-carboxamide
CID 97236999
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43331072

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide (CID 133360912) is N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide is N#Cc1cc(C(F)(F)F)ccc1NCCNC(=O)CC1CCCC1.
What is the InChIKey of N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide?
The InChIKey is JNVQPFFQHISMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)14-5-6-15(13(10-14)11-21)22-7-8-23-16(24)9-12-3-1-2-4-12/h5-6,10,12,22H,1-4,7-9H2,(H,23,24).
What are the key properties of N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide?
N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide has a molecular weight of 339.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyano-4-(trifluoromethyl)anilino]ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 133360912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).