1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide

C16H21FN2O2 — CID 110436859

IUPAC1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
SMILESO=CNCCCNC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H21FN2O2/c17-14-7-2-1-6-13(14)16(8-3-4-9-16)15(21)19-11-5-10-18-12-20/h1-2,6-7,12H,3-5,8-11H2,(H,18,20)(H,19,21)
InChIKeyIYLQOQJNOVZFHC-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide

1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide (PubChem CID 110436859) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
PubChem CID110436859
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide
SMILESO=CNCCCNC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C16H21FN2O2/c17-14-7-2-1-6-13(14)16(8-3-4-9-16)15(21)19-11-5-10-18-12-20/h1-2,6-7,12H,3-5,8-11H2,(H,18,20)(H,19,21)
InChIKeyIYLQOQJNOVZFHC-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 110437588
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CID 110485230
1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
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1-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 110437610
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 110612491
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
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N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110419576
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CID 110607175

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide (CID 110436859) is 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide is O=CNCCCNC(=O)C1(c2ccccc2F)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide?
The InChIKey is IYLQOQJNOVZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-7-2-1-6-13(14)16(8-3-4-9-16)15(21)19-11-5-10-18-12-20/h1-2,6-7,12H,3-5,8-11H2,(H,18,20)(H,19,21).
What are the key properties of 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide?
1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-formamidopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 110436859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).