N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

C16H21FN2O2 — CID 110438323

IUPACN-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H21FN2O2/c1-12(20)18-10-11-19-15(21)16(8-4-5-9-16)13-6-2-3-7-14(13)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGEWWLINALRKGGH-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds5

About N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 110438323) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID110438323
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H21FN2O2/c1-12(20)18-10-11-19-15(21)16(8-4-5-9-16)13-6-2-3-7-14(13)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGEWWLINALRKGGH-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
CID 110438277
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
CID 110436859
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (CID 110438323) is N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is CC(=O)NCCNC(=O)C1(c2ccccc2F)CCCC1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is GEWWLINALRKGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12(20)18-10-11-19-15(21)16(8-4-5-9-16)13-6-2-3-7-14(13)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 110438323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).