N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C16H18FN3O — CID 94139239

IUPACN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESN#Cc1c(F)cccc1NCCNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C16H18FN3O/c17-14-6-3-7-15(13(14)11-18)19-8-9-20-16(21)10-12-4-1-2-5-12/h1,3-4,6-7,12,19H,2,5,8-10H2,(H,20,21)/t12-/m0/s1
InChIKeyLUIKUXGNNMEBHF-LBPRGKRZSA-N
MW287.34 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 94139239) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID94139239
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESN#Cc1c(F)cccc1NCCNC(=O)C[C@H]1C=CCC1
InChIInChI=1S/C16H18FN3O/c17-14-6-3-7-15(13(14)11-18)19-8-9-20-16(21)10-12-4-1-2-5-12/h1,3-4,6-7,12,19H,2,5,8-10H2,(H,20,21)/t12-/m0/s1
InChIKeyLUIKUXGNNMEBHF-LBPRGKRZSA-N
XLogP2.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2524258
N-(3-cyanophenyl)-2-cyclopentylacetamide
CID 2707610
2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide
CID 3231354
N-(3-fluoro-2-methylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4918562
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9070688
Cyclopentyl-[3-(4-fluoroanilino)piperidino]methanone
CID 24790190
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
N-(2-cyanophenyl)pentanamide
CID 2295226
N-(3-cyanophenyl)-3-cyclopentylpropanamide
CID 976308
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655002
2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 5306171
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16274373

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 94139239) is N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is N#Cc1c(F)cccc1NCCNC(=O)C[C@H]1C=CCC1.
What is the InChIKey of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is LUIKUXGNNMEBHF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-6-3-7-15(13(14)11-18)19-8-9-20-16(21)10-12-4-1-2-5-12/h1,3-4,6-7,12,19H,2,5,8-10H2,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.58, 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-3-fluoroanilino)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 94139239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).